4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid

C18H17N3O2 — CID 118723475

IUPAC4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-9-7-12(8-10-13)16-20-15-6-3-11-19-17(15)21(16)14-4-1-2-5-14/h3,6-11,14H,1-2,4-5H2,(H,22,23)
InChIKeyOOJMLJJFONFXAI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds3

About 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid

4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid (PubChem CID 118723475) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid
PubChem CID118723475
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-9-7-12(8-10-13)16-20-15-6-3-11-19-17(15)21(16)14-4-1-2-5-14/h3,6-11,14H,1-2,4-5H2,(H,22,23)
InChIKeyOOJMLJJFONFXAI-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Miroprofen
CID 68752
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CID 131857
3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid
CID 23646627
Zolpidem carboxylic acid
CID 11966044
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
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4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
2-[4-[[5-(1-Methylbenzimidazol-2-yl)-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 44373353
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-(1H-1,3-benzodiazol-1-yl)benzoic acid
CID 703493
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Pomisartan
CID 3050407

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid (CID 118723475) is 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1.
What is the InChIKey of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid?
The InChIKey is OOJMLJJFONFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)13-9-7-12(8-10-13)16-20-15-6-3-11-19-17(15)21(16)14-4-1-2-5-14/h3,6-11,14H,1-2,4-5H2,(H,22,23).
What are the key properties of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid?
4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 118723475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).