2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid

C25H22N2O2 — CID 164617874

IUPAC2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C25H22N2O2/c28-25(29)21-11-10-20(14-22(21)18-8-4-5-9-18)23-16-26-27-13-12-19(15-24(23)27)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,29)
InChIKeyINEGAMNZHSDHEF-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.02
Rot. Bonds4

About 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid

2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 164617874) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID164617874
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C25H22N2O2/c28-25(29)21-11-10-20(14-22(21)18-8-4-5-9-18)23-16-26-27-13-12-19(15-24(23)27)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,29)
InChIKeyINEGAMNZHSDHEF-UHFFFAOYSA-N
XLogP6.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166128290
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CID 53316137
1-(2-cyclopentyl-4-phenylphenyl)ethanone
CID 134842938
2-cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 164614546
2-cyclopentylterephthalic acid
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2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690847
3-bromo-5-phenylpyrazolo[1,5-a]pyridine
CID 71741646
7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958109
5-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690729
5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 170134728
3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 166287912
6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride
CID 70408017

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid (CID 164617874) is 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)cc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is INEGAMNZHSDHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(29)21-11-10-20(14-22(21)18-8-4-5-9-18)23-16-26-27-13-12-19(15-24(23)27)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,29).
What are the key properties of 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid?
2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid has a molecular weight of 382.46 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 164617874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).