N-cyclopropyl-2-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 714378
• 分子式: C23H20N4O
• 平均质量: 368.4311
• 单一同位素质量: 368.16371128
• SMILES: c1(C(=O)N(C2CC2)Cc2cnccc2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccnc1)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C23H20N4O/c28-23(27(20-9-10-20)14-17-5-4-12-24-13-17)19-8-11-22-25-21(16-26(22)15-19)18-6-2-1-3-7-18/h1-8,11-13,15-16,20H,9-10,14H2
• InChIKey: NOYARFUVUKHZMG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-cyclopropyl-2-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-cyclopropyl-2-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.8038297
• LogD (pH = 7.4): 3.0589962
• Log P: 3.0629828
• 摩尔折射率: 109.2393 cm^3
• 极化性: 42.4293 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.08
• LOG S: -2.36
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 5