SDF/Mol File of Olaparib (C24H23FN4O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Olaparib Molecule

• Chemical structure of Olaparib

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Olaparib is available in chemical structure page of Olaparib, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Olaparib

  The chemical formula of Olaparib is given 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.

• InChI (IUPAC International Chemical Identifier) information of Olaparib

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Olaparib is:

  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)

  It can provide a standard way to encode the molecular information of Olaparib to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Olaparib is:

  InChIKey=FDLYAMZZIXQODN-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Olaparib, but it needs to be linked to the full InChI to get back to the original structure of the Olaparib since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Olaparib

  The Olaparib compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Olaparib including the registry numbers are listed below, 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 Olaparib formula?
C24H23FN4O3
How many atoms and what elements are included in 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 in 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 molar mass?
434.46282 g/mol
What’s the SMILES structure of Olaparib?
Fc3ccc(Cc1n[nH]c(=O)c2ccccc12)cc3C(=O)N4CCN(CC4)C(=O)C5CC5
What’s the InChI code 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 format of Olaparib?
FDLYAMZZIXQODN-UHFFFAOYSA-N

22 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).