1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one

C12H15N3O — CID 59568642

IUPAC1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCCCC1
InChIInChI=1S/C12H15N3O/c16-12-14-11-10(7-4-8-13-11)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14,16)
InChIKeyRXPGJEKERBHADP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds1

About 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one

1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 59568642) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID59568642
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCCCC1
InChIInChI=1S/C12H15N3O/c16-12-14-11-10(7-4-8-13-11)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14,16)
InChIKeyRXPGJEKERBHADP-UHFFFAOYSA-N
XLogP2.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one 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 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one (CID 59568642) is 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RXPGJEKERBHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-14-11-10(7-4-8-13-11)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14,16).
What are the key properties of 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one?
1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 59568642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).