2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C13H14N2O2 — CID 84693470

IUPAC2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyZCVFOWKQKDWFQB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.92
Rot. Bonds2

About 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84693470) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84693470
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)[nH]c2ncccc12
InChIInChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyZCVFOWKQKDWFQB-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 84681730
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84680375
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
CID 95853015
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 95853360
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 68969136
1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
CID 92585194
(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124909668
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84693470) is 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c(C2CCCC2)[nH]c2ncccc12.
What is the InChIKey of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is ZCVFOWKQKDWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)10-9-6-3-7-14-12(9)15-11(10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).