Structure & Deep Data of Tegobuvir (C25H14F7N5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Tegobuvir molecule contains a total of 55 bond(s). There are 41 non-H bond(s), 28 multiple bond(s), 4 rotatable bond(s), 28 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 1 Imidazole(s), 1 Pyridine(s), and 1 Pyridazine(s). Images of the chemical structure of Tegobuvir are given below:

The 2D chemical structure image of Tegobuvir is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Tegobuvir 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 Tegobuvir 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 Tegobuvir. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Tegobuvir Molecule

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

  The SMILES string of Tegobuvir is Fc1ccccc1c5nc4ccn(Cc2ccc(nn2)c3ccc(cc3C(F)(F)F)C(F)(F)F)cc4n5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Tegobuvir.

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

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

• Chemical formula of Tegobuvir

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

• Molecular weight of Tegobuvir

  The molecular weight of Tegobuvir is available in molecular weight page of Tegobuvir, 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 Tegobuvir

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

  • 5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-
  • 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
  • W-5728
  • D09971
  • 4092AH
  • C25H14F7N5
  • 5NOK5X389M
  • Tegobuvir (USAN/INN)
  • GS 333126
  • GS 9190

  • Tegobuvir [USAN:INN]
  • Tegobuvir [USN:INN]
  • W-204340
  • 5-((6-(2,4-bis(Trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
  • 1000787-75-6
  • Tegobuvir
  • 1001913-21-8
  • J-516048

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Tegobuvir Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Tegobuvir?
C25H14F7N5
How many atoms and what are the elements included the Tegobuvir molecule?
51 atom(s) - 14 Hydrogen atom(s), 25 Carbon atom(s), 5 Nitrogen atom(s), and 7 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Tegobuvir structure?
55 bond(s) - 41 non-H bond(s), 28 multiple bond(s), 4 rotatable bond(s), 28 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 1 Imidazole(s), 1 Pyridine(s), and 1 Pyridazine(s)
What’s the Tegobuvir’s molecular weight?
517.400982 g/mol
What’s the SMILES code of Tegobuvir?
Fc1ccccc1c5nc4ccn(Cc2ccc(nn2)c3ccc(cc3C(F)(F)F)C(F)(F)F)cc4n5
What’s the InChI string of Tegobuvir?
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
What’s the InChIKey code of Tegobuvir?
XBEQSQDCBSKCHJ-UHFFFAOYSA-N

33 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).