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

• ChemBase编号: 488167
• 分子式: C22H19N3OS
• 平均质量: 373.47076
• 单一同位素质量: 373.12488324
• SMILES: c1(C(=O)N(C2CC2)Cc2cscc2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cscc1)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C22H19N3OS/c26-22(25(19-7-8-19)12-16-10-11-27-15-16)18-6-9-21-23-20(14-24(21)13-18)17-4-2-1-3-5-17/h1-6,9-11,13-15,19H,7-8,12H2
• InChIKey: MTPQIRWMHLDXPP-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8741934
• LogD (pH = 7.4): 4.05812
• Log P: 4.061097
• 摩尔折射率: 108.502 cm^3
• 极化性: 41.956924 Å^3
• 极化表面积: 37.61 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: 2
• 质子供体: 0
• Log P: 3.25
• LOG S: -4.7
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 5