N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 676991
• 分子式: C24H30N4O
• 平均质量: 390.5212
• 单一同位素质量: 390.2419616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1C(CCC1)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CC1CCCN1Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C24H30N4O/c1-18-9-7-15-28-21(17-27-14-8-10-19(27)2)22(25-23(18)28)24(29)26(3)16-13-20-11-5-4-6-12-20/h4-7,9,11-12,15,19H,8,10,13-14,16-17H2,1-3H3
• InChIKey: FWOWIJSJCLNSMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0432457
• LogD (pH = 7.4): 2.8175879
• Log P: 3.6537182
• 摩尔折射率: 119.225 cm^3
• 极化性: 44.864735 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.1
• LOG S: -4.69
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6