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

C19H13FN4O — CID 51718265

IUPAC4-[(7S)-3-(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)cc2)cc1
InChIInChI=1S/C19H13FN4O/c20-14-5-7-15(8-6-14)24-11-22-18-16(9-17(25)23-19(18)24)13-3-1-12(10-21)2-4-13/h1-8,11,16H,9H2,(H,23,25)/t16-/m0/s1
InChIKeyUVZXADANCTXZGR-INIZCTEOSA-N
MW332.34 g/mol
LogP3.36
Rot. Bonds2

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

4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (PubChem CID 51718265) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
PubChem CID51718265
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name4-[(7S)-3-(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)cc2)cc1
InChIInChI=1S/C19H13FN4O/c20-14-5-7-15(8-6-14)24-11-22-18-16(9-17(25)23-19(18)24)13-3-1-12(10-21)2-4-13/h1-8,11,16H,9H2,(H,23,25)/t16-/m0/s1
InChIKeyUVZXADANCTXZGR-INIZCTEOSA-N
XLogP3.36
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51719084
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51717199
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7S)-3-(4-fluorophenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717862
(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716845
(7R)-7-(2,3-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718739
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950

Frequently Asked Questions

What is the IUPAC name of 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The IUPAC name of 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (CID 51718265) is 4-[(7S)-3-(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-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The canonical SMILES for 4-[(7S)-3-(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)cc2)cc1.
What is the InChIKey of 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The InChIKey is UVZXADANCTXZGR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-14-5-7-15(8-6-14)24-11-22-18-16(9-17(25)23-19(18)24)13-3-1-12(10-21)2-4-13/h1-8,11,16H,9H2,(H,23,25)/t16-/m0/s1.
What are the key properties of 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile has a molecular weight of 332.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is sourced from PubChem (CID 51718265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).