4-{7-methylimidazo[1,2-a]pyridin-2-yl}-N-(pyridin-2-ylmethyl)aniline

• ChemBase ID: 761102
• Molecular Formular: C20H18N4
• Molecular Mass: 314.38372
• Monoisotopic Mass: 314.1531466
• SMILES: c12nc(cn1ccc(c2)C)c1ccc(NCc2ncccc2)cc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)c1ccc(cc1)NCc1ccccn1
• InChI: InChI=1S/C20H18N4/c1-15-9-11-24-14-19(23-20(24)12-15)16-5-7-17(8-6-16)22-13-18-4-2-3-10-21-18/h2-12,14,22H,13H2,1H3
• InChIKey: RCEZXIFVYYJISU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{7-methylimidazo[1,2-a]pyridin-2-yl}-N-(pyridin-2-ylmethyl)aniline
• IUPAC Traditional name: 4-{7-methylimidazo[1,2-a]pyridin-2-yl}-N-(pyridin-2-ylmethyl)aniline
• Synonyms: 4-(7-methylimidazo[1,2-a]pyridin-2-yl)-N-(2-pyridinylmethyl)aniline

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.689934
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9669092
• LogD (pH = 7.4): 3.3588233
• Log P: 3.3670971
• Molar Refractivity: 97.8691 cm^3
• Polarizability: 37.747814 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.45
• LOG S: -3.14
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 4