2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid

C11H13N3O3 — CID 121199605

IUPAC2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid
SMILESCC(C)n1c(=O)n(CC(=O)O)c2cccnc21
InChIInChI=1S/C11H13N3O3/c1-7(2)14-10-8(4-3-5-12-10)13(11(14)17)6-9(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHJEWVOWOERIIDI-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid

2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid (PubChem CID 121199605) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid
PubChem CID121199605
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid
SMILESCC(C)n1c(=O)n(CC(=O)O)c2cccnc21
InChIInChI=1S/C11H13N3O3/c1-7(2)14-10-8(4-3-5-12-10)13(11(14)17)6-9(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHJEWVOWOERIIDI-UHFFFAOYSA-N
XLogP0.86
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic 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-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid (CID 121199605) is 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid is CC(C)n1c(=O)n(CC(=O)O)c2cccnc21.
What is the InChIKey of 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid?
The InChIKey is HJEWVOWOERIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(2)14-10-8(4-3-5-12-10)13(11(14)17)6-9(15)16/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid?
2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 121199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).