3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C13H12N4O2 — CID 82514009

IUPAC3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(N)cc1-n1c(=O)[nH]c2cccnc21
InChIInChI=1S/C13H12N4O2/c1-19-11-5-4-8(14)7-10(11)17-12-9(16-13(17)18)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18)
InChIKeyPBJIIDRUWSCJPK-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.30
Rot. Bonds2

About 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 82514009) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID82514009
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(N)cc1-n1c(=O)[nH]c2cccnc21
InChIInChI=1S/C13H12N4O2/c1-19-11-5-4-8(14)7-10(11)17-12-9(16-13(17)18)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18)
InChIKeyPBJIIDRUWSCJPK-UHFFFAOYSA-N
XLogP1.30
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(5-amino-2-methoxyphenyl)-1H-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 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 82514009) is 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one is COc1ccc(N)cc1-n1c(=O)[nH]c2cccnc21.
What is the InChIKey of 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PBJIIDRUWSCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-19-11-5-4-8(14)7-10(11)17-12-9(16-13(17)18)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18).
What are the key properties of 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 82514009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).