1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone

C27H19F2N3O — CID 59130492

IUPAC1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1
InChIInChI=1S/C27H19F2N3O/c1-17(33)19-9-11-21(12-10-19)20-7-5-18(6-8-20)15-32-14-13-24-25(16-32)31-27(30-24)22-3-2-4-23(28)26(22)29/h2-14,16H,15H2,1H3
InChIKeyFHWJHNTUHRNWGM-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.25
Rot. Bonds5

About 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone

1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone (PubChem CID 59130492) has the molecular formula C27H19F2N3O and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone
PubChem CID59130492
Molecular FormulaC27H19F2N3O
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1
InChIInChI=1S/C27H19F2N3O/c1-17(33)19-9-11-21(12-10-19)20-7-5-18(6-8-20)15-32-14-13-24-25(16-32)31-27(30-24)22-3-2-4-23(28)26(22)29/h2-14,16H,15H2,1H3
InChIKeyFHWJHNTUHRNWGM-UHFFFAOYSA-N
XLogP6.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone (CID 59130492) is 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone?
The InChIKey is FHWJHNTUHRNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O/c1-17(33)19-9-11-21(12-10-19)20-7-5-18(6-8-20)15-32-14-13-24-25(16-32)31-27(30-24)22-3-2-4-23(28)26(22)29/h2-14,16H,15H2,1H3.
What are the key properties of 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone?
1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone has a molecular weight of 439.47 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 59130492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).