Structure & Deep Data of Olaparib (C24H23FN4O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Olaparib molecule contains a total of 59 bond(s). There are 36 non-H bond(s), 16 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 1 three-membered ring(s), 4 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 tertiary amide(s) (aromatic), and 1 hydrazone(s). Images of the chemical structure of Olaparib are given below:

The 2D chemical structure image of Olaparib is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Olaparib are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Olaparib is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Olaparib. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Olaparib Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Olaparib

  The SMILES string of Olaparib is Fc3ccc(Cc1n[nH]c(=O)c2ccccc12)cc3C(=O)N4CCN(CC4)C(=O)C5CC5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Olaparib.

• Structure Data File (SDF/MOL File) of Olaparib

  The structure data file (SDF/MOL File) of Olaparib is available for download in the SDF page of Olaparib, which provides the information about the atoms, bonds, connectivity and coordinates of Olaparib. The Olaparib structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Olaparib

  The molecular formula of Olaparib is available in chemical formula page of Olaparib, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Olaparib

  The molecular weight of Olaparib is available in molecular weight page of Olaparib, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Olaparib

  The Olaparib compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Olaparib including the various registry numbers, if available:

  • 894104-70-2
  • 4-{[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl}-1,2-dihydrophthalazin-1-one
  • 1021843-02-6
  • 1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-
  • (2H)-Phthalazinone, 4-((3-((4-(cyclopropylcarbonyl)-1-piperazinyl)carbonyl)-4-fluorophenyl)methyl)-
  • Olaparib, KU-0059436, AZD2281, 763113-22-0
  • AZD 2281|||KU 0059436|||KU 59436
  • 1-(cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1
  • BRD-K02113016-001-09-7
  • BRD-K02113016-001-08-9

  • I06-2362
  • Z-3275
  • S-7836
  • S-3781
  • D09730
  • A9666
  • Olaparib (AZD2281, KU0059436)
  • 4CA-0938
  • AZD2281,Olaparib, KU-0059436
  • AZD2281-Supplied by Selleck Chemicals

  • ANW-43329
  • BCPP000360
  • BDBM27566
  • GTPL7519
  • Olaparib; KU 0059436
  • Olaparib (JAN/USAN/INN)
  • Olaparib (AZD-2281)
  • cc-16
  • Olaparib - AZD2281
  • Olaparib (AZD2281)

  • 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one
  • 4-[(3-{[4-(Cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorophenyl)methyl]phthalazin-1(2H)-one
  • 4-((3-{(4-(cyclopropylcarbonyl)piperazin-1-yl)carbonyl}-4-fluorophenyl)methyl)phthalazin-1(2H)-one
  • 09L
  • Lynparza (TN)
  • Olaparibum
  • Lynparzareg
  • Olaparib [USAN:INN]
  • EC-000.2324
  • OLAPARIB cpd

  • 4-[[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
  • 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one
  • 4-(3-{[4-(Cyclopropylcarbonyl)piperazin-1-Yl]carbonyl}-4-Fluorobenzyl)phthalazin-1(2h)-One
  • Olaparib, KU-0059436, AZD2281, KU0059436, AZD2281
  • 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one
  • MFCD13185161
  • Olaparib (AZD2281, Ku-0059436)
  • Acylpiperazine analogue, 47
  • WOH1JD9AR8
  • 4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one

  • 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine
  • AZD 2281
  • AZD-2281
  • Lynparza
  • 763113-22-0
  • Olaparib
  • AZD2281(olaparib)/AZD-2281/KU0059436
  • AZD2281(olaparib)
  • 937799-91-2
  • J-503540

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Olaparib Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Olaparib?
C24H23FN4O3
How many atoms and what are the elements included the Olaparib molecule?
55 atom(s) - 23 Hydrogen atom(s), 24 Carbon atom(s), 4 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Olaparib structure?
59 bond(s) - 36 non-H bond(s), 16 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 1 three-membered ring(s), 4 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 tertiary amide(s) (aromatic), and 1 hydrazone(s)
What’s the Olaparib’s molecular weight?
434.46282 g/mol
What’s the SMILES code of Olaparib?
Fc3ccc(Cc1n[nH]c(=O)c2ccccc12)cc3C(=O)N4CCN(CC4)C(=O)C5CC5
What’s the InChI string of Olaparib?
InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
What’s the InChIKey code of Olaparib?
FDLYAMZZIXQODN-UHFFFAOYSA-N

228 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).