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

C18H17N3O2 — CID 164619178

IUPAC2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3nc[nH]c23)cc1C1CCCC1
InChIInChI=1S/C18H17N3O2/c22-18(23)14-6-5-12(9-15(14)11-3-1-2-4-11)13-7-8-19-17-16(13)20-10-21-17/h5-11H,1-4H2,(H,22,23)(H,19,20,21)
InChIKeyVZBKCBBDEXENPV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.98
Rot. Bonds3

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

2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid (PubChem CID 164619178) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
PubChem CID164619178
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3nc[nH]c23)cc1C1CCCC1
InChIInChI=1S/C18H17N3O2/c22-18(23)14-6-5-12(9-15(14)11-3-1-2-4-11)13-7-8-19-17-16(13)20-10-21-17/h5-11H,1-4H2,(H,22,23)(H,19,20,21)
InChIKeyVZBKCBBDEXENPV-UHFFFAOYSA-N
XLogP3.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid?
The IUPAC name of 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid (CID 164619178) is 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid is O=C(O)c1ccc(-c2ccnc3nc[nH]c23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid?
The InChIKey is VZBKCBBDEXENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)14-6-5-12(9-15(14)11-3-1-2-4-11)13-7-8-19-17-16(13)20-10-21-17/h5-11H,1-4H2,(H,22,23)(H,19,20,21).
What are the key properties of 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid?
2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid is sourced from PubChem (CID 164619178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).