4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

C15H12FN3O2 — CID 145486354

IUPAC4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCCc1c(F)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C15H12FN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyQVHVFJQCZKFOPX-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.02
Rot. Bonds3

About 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (PubChem CID 145486354) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
PubChem CID145486354
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCCc1c(F)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C15H12FN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyQVHVFJQCZKFOPX-UHFFFAOYSA-N
XLogP3.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Gsk-650394
CID 25022668
4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
Zolpidem carboxylic acid
CID 11966044
2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45270042
2,7-Dimethyl-3-{[(4-methylbenzoyl)oxy]ethanimidoyl}imidazo[1,2-a]pyridine
CID 5524230
Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 11953130
4-[(2-Butylbenzimidazol-1-yl)methyl]-3-fluorobenzoic acid
CID 15129933
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
2-fluoro-4-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 44529748

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (CID 145486354) is 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is CCc1c(F)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12.
What is the InChIKey of 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The InChIKey is QVHVFJQCZKFOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid has a molecular weight of 285.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 145486354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).