6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

C18H12ClFN4O — CID 134493626

IUPAC6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1Cc1cncc(F)c1
InChIInChI=1S/C18H12ClFN4O/c19-14-3-1-2-12(5-14)13-6-16-17(22-8-13)23-18(25)24(16)10-11-4-15(20)9-21-7-11/h1-9H,10H2,(H,22,23,25)
InChIKeyRCFQXVRTWUCEGF-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.63
Rot. Bonds3

About 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493626) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493626
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1Cc1cncc(F)c1
InChIInChI=1S/C18H12ClFN4O/c19-14-3-1-2-12(5-14)13-6-16-17(22-8-13)23-18(25)24(16)10-11-4-15(20)9-21-7-11/h1-9H,10H2,(H,22,23,25)
InChIKeyRCFQXVRTWUCEGF-UHFFFAOYSA-N
XLogP3.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CID 145925651
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-7H-purin-8-one
CID 9819683
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
6-Pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 12774626
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 53311223
4-(5-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139532008
US20240018122, Example 141
CID 168072216
US20240018122, Example 142
CID 168072272
US20240018122, Example 150
CID 168072399
US20240018122, Example 85
CID 168072497

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493626) is 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1Cc1cncc(F)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RCFQXVRTWUCEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-14-3-1-2-12(5-14)13-6-16-17(22-8-13)23-18(25)24(16)10-11-4-15(20)9-21-7-11/h1-9H,10H2,(H,22,23,25).
What are the key properties of 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 354.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).