2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114270
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: n12c(nc(c1N)c1ccc(cc1)OC)cc(cc2)C
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1N)ccc(c2)C
• InChI: InChI=1S/C15H15N3O/c1-10-7-8-18-13(9-10)17-14(15(18)16)11-3-5-12(19-2)6-4-11/h3-9H,16H2,1-2H3
• InChIKey: NEXQEGGSXWDIFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(4-methoxyphenyl)-7-methylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD14540286
• PubChem SID: 162099677
• PubChem CID: 45496223

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1572617
• LogD (pH = 7.4): 2.2567863
• Log P: 2.4087403
• Molar Refractivity: 76.1587 cm^3
• Polarizability: 29.67548 Å^3
• Polar Surface Area: 52.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.406

Product Information

• Purity: 95+%