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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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).