2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid

C20H23N5O3 — CID 50970550

IUPAC2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)n(CCN1CCCC1)c(=O)n2CCc1ccccn1
InChIInChI=1S/C20H23N5O3/c26-19(27)15-13-17-18(22-14-15)25(10-6-16-5-1-2-7-21-16)20(28)24(17)12-11-23-8-3-4-9-23/h1-2,5,7,13-14H,3-4,6,8-12H2,(H,26,27)
InChIKeyHIPPVEJSLAYHLM-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.63
Rot. Bonds7

About 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid

2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 50970550) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID50970550
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)n(CCN1CCCC1)c(=O)n2CCc1ccccn1
InChIInChI=1S/C20H23N5O3/c26-19(27)15-13-17-18(22-14-15)25(10-6-16-5-1-2-7-21-16)20(28)24(17)12-11-23-8-3-4-9-23/h1-2,5,7,13-14H,3-4,6,8-12H2,(H,26,27)
InChIKeyHIPPVEJSLAYHLM-UHFFFAOYSA-N
XLogP1.63
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid (CID 50970550) is 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2c(c1)n(CCN1CCCC1)c(=O)n2CCc1ccccn1.
What is the InChIKey of 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is HIPPVEJSLAYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-19(27)15-13-17-18(22-14-15)25(10-6-16-5-1-2-7-21-16)20(28)24(17)12-11-23-8-3-4-9-23/h1-2,5,7,13-14H,3-4,6,8-12H2,(H,26,27).
What are the key properties of 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 381.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(2-pyridin-2-ylethyl)-1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 50970550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).