3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid

C27H22ClFN4O4 — CID 172632745

IUPAC3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(C2(n3c(=O)n(-c4ccc(C(=O)N5CCCC5)cc4)c4cc(Cl)cnc43)CC2)c1F
InChIInChI=1S/C27H22ClFN4O4/c28-17-14-21-23(30-15-17)33(27(10-11-27)20-5-3-4-19(22(20)29)25(35)36)26(37)32(21)18-8-6-16(7-9-18)24(34)31-12-1-2-13-31/h3-9,14-15H,1-2,10-13H2,(H,35,36)
InChIKeyNHZUVXPUJOJBTF-UHFFFAOYSA-N
MW520.95 g/mol
LogP4.45
Rot. Bonds5

About 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid

3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid (PubChem CID 172632745) has the molecular formula C27H22ClFN4O4 and a molecular weight of 520.95 g/mol. Its IUPAC name is 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid
PubChem CID172632745
Molecular FormulaC27H22ClFN4O4
Molecular Weight520.95 g/mol
Exact Mass520.13
IUPAC Name3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(C2(n3c(=O)n(-c4ccc(C(=O)N5CCCC5)cc4)c4cc(Cl)cnc43)CC2)c1F
InChIInChI=1S/C27H22ClFN4O4/c28-17-14-21-23(30-15-17)33(27(10-11-27)20-5-3-4-19(22(20)29)25(35)36)26(37)32(21)18-8-6-16(7-9-18)24(34)31-12-1-2-13-31/h3-9,14-15H,1-2,10-13H2,(H,35,36)
InChIKeyNHZUVXPUJOJBTF-UHFFFAOYSA-N
XLogP4.45
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.95
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid 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

3-[1-[5-chloro-3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-2-oxobenzimidazol-1-yl]cyclopropyl]-2-fluorobenzoic acid
CID 172632793
3-[1-[5-chloro-3-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]-2-oxobenzimidazol-1-yl]cyclopropyl]-2-fluorobenzoic acid
CID 172632862
methyl 3-[1-[5-chloro-2-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzimidazol-1-yl]cyclopropyl]-2-fluorobenzoate
CID 172633180
3-[1-[5-chloro-2-oxo-3-[4-(piperidine-1-carbonyl)phenyl]benzimidazol-1-yl]cyclopropyl]benzoic acid
CID 172632961
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
3-[1-[3-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]-5-chloro-2-oxobenzimidazol-1-yl]cyclopropyl]-5-fluorobenzoic acid
CID 172633120
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 53224480
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid?
The IUPAC name of 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid (CID 172632745) is 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid.
What is the SMILES notation for 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid?
The canonical SMILES for 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid is O=C(O)c1cccc(C2(n3c(=O)n(-c4ccc(C(=O)N5CCCC5)cc4)c4cc(Cl)cnc43)CC2)c1F.
What is the InChIKey of 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid?
The InChIKey is NHZUVXPUJOJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O4/c28-17-14-21-23(30-15-17)33(27(10-11-27)20-5-3-4-19(22(20)29)25(35)36)26(37)32(21)18-8-6-16(7-9-18)24(34)31-12-1-2-13-31/h3-9,14-15H,1-2,10-13H2,(H,35,36).
What are the key properties of 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid?
3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid has a molecular weight of 520.95 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-chloro-2-oxo-1-[4-(pyrrolidine-1-carbonyl)phenyl]imidazo[4,5-b]pyridin-3-yl]cyclopropyl]-2-fluorobenzoic acid is sourced from PubChem (CID 172632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).