4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

C19H12ClFN4O — CID 51719084

IUPAC4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H12ClFN4O/c20-15-7-13(5-6-16(15)21)25-10-23-18-14(8-17(26)24-19(18)25)12-3-1-11(9-22)2-4-12/h1-7,10,14H,8H2,(H,24,26)/t14-/m0/s1
InChIKeyDXXKQCLKWVNMGF-AWEZNQCLSA-N
MW366.78 g/mol
LogP4.01
Rot. Bonds2

About 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (PubChem CID 51719084) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
PubChem CID51719084
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H12ClFN4O/c20-15-7-13(5-6-16(15)21)25-10-23-18-14(8-17(26)24-19(18)25)12-3-1-11(9-22)2-4-12/h1-7,10,14H,8H2,(H,24,26)/t14-/m0/s1
InChIKeyDXXKQCLKWVNMGF-AWEZNQCLSA-N
XLogP4.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51718265
2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 51973932
4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51717199
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716845
(7R)-3-(3-fluorophenyl)-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971262
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7R)-3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717534
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940

Frequently Asked Questions

What is the IUPAC name of 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The IUPAC name of 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (CID 51719084) is 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.
What is the SMILES notation for 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The canonical SMILES for 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The InChIKey is DXXKQCLKWVNMGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-15-7-13(5-6-16(15)21)25-10-23-18-14(8-17(26)24-19(18)25)12-3-1-11(9-22)2-4-12/h1-7,10,14H,8H2,(H,24,26)/t14-/m0/s1.
What are the key properties of 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile has a molecular weight of 366.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is sourced from PubChem (CID 51719084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).