4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline

C13H12N4 — CID 130424570

IUPAC4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline
SMILESCc1ccc2ncn(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C13H12N4/c1-9-2-7-12-13(16-9)17(8-15-12)11-5-3-10(14)4-6-11/h2-8H,14H2,1H3
InChIKeyFPFSISVJNVIHNV-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds1

About 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline

4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline (PubChem CID 130424570) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline.

Molecular Properties

Compound Name4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline
PubChem CID130424570
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline
SMILESCc1ccc2ncn(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C13H12N4/c1-9-2-7-12-13(16-9)17(8-15-12)11-5-3-10(14)4-6-11/h2-8H,14H2,1H3
InChIKeyFPFSISVJNVIHNV-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline 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 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The IUPAC name of 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline (CID 130424570) is 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline.
What is the SMILES notation for 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The canonical SMILES for 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline is Cc1ccc2ncn(-c3ccc(N)cc3)c2n1.
What is the InChIKey of 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The InChIKey is FPFSISVJNVIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-2-7-12-13(16-9)17(8-15-12)11-5-3-10(14)4-6-11/h2-8H,14H2,1H3.
What are the key properties of 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline?
4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline has a molecular weight of 224.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline is sourced from PubChem (CID 130424570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).