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

C13H10N4O3 — CID 83290800

IUPAC1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c18-13-15-12-11(5-2-6-14-12)16(13)8-9-3-1-4-10(7-9)17(19)20/h1-7H,8H2,(H,14,15,18)
InChIKeyHPOAEBPREDWQST-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.68
Rot. Bonds3

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

1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 83290800) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID83290800
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c18-13-15-12-11(5-2-6-14-12)16(13)8-9-3-1-4-10(7-9)17(19)20/h1-7H,8H2,(H,14,15,18)
InChIKeyHPOAEBPREDWQST-UHFFFAOYSA-N
XLogP1.68
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(3-nitrophenyl)methyl]-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

Related Compounds

1-[(3-nitrophenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16952061
1-[(3-nitrophenyl)methyl]pyrrole-2,5-diol
CID 90709675
(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate
CID 141170730
4-[(3-nitrophenyl)methyl]-1H-tetrazol-5-one
CID 150670367
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
3-[2-(1H-indol-3-yl)ethyl]-1-[(3-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 46260230
2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
CID 134281193
5-fluoro-1-[(3-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 91623257
4-[3-[(3-nitrophenyl)methyl]-2-oxobenzimidazol-1-yl]butanoic acid
CID 57315869
3,5-dinitro-1-[(3-nitrophenyl)methyl]pyridin-4-one
CID 125114610
1-benzyl-6-nitroquinoxalin-2-one
CID 170748666
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 83290800) is 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is HPOAEBPREDWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13-15-12-11(5-2-6-14-12)16(13)8-9-3-1-4-10(7-9)17(19)20/h1-7H,8H2,(H,14,15,18).
What are the key properties of 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 270.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 83290800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).