2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid

C14H14N2O3 — CID 114391820

IUPAC2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H14N2O3/c17-12(8-3-1-4-10(8)14(18)19)11-7-16-13-9(11)5-2-6-15-13/h2,5-8,10H,1,3-4H2,(H,15,16)(H,18,19)
InChIKeyLXGQHPVARREGAV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.25
Rot. Bonds3

About 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid

2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114391820) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114391820
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H14N2O3/c17-12(8-3-1-4-10(8)14(18)19)11-7-16-13-9(11)5-2-6-15-13/h2,5-8,10H,1,3-4H2,(H,15,16)(H,18,19)
InChIKeyLXGQHPVARREGAV-UHFFFAOYSA-N
XLogP2.25
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] (2S,6S)-2,6-dimethylpiperidine-1-carbodithioate
CID 125117637
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 75405120
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid (CID 114391820) is 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is LXGQHPVARREGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(8-3-1-4-10(8)14(18)19)11-7-16-13-9(11)5-2-6-15-13/h2,5-8,10H,1,3-4H2,(H,15,16)(H,18,19).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid?
2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).