3-{[(2-methoxyethyl)(methyl)amino]methyl}-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 331288
• 分子式: C23H30N4O2
• 平均质量: 394.5099
• 单一同位素质量: 394.23687622
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CCOC)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: COCCN(Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C23H30N4O2/c1-18-9-8-13-27-20(17-25(2)15-16-29-4)21(24-22(18)27)23(28)26(3)14-12-19-10-6-5-7-11-19/h5-11,13H,12,14-17H2,1-4H3
• InChIKey: IUTOSIUSAJXTHU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.8077656
• LogD (pH = 7.4): 2.4390945
• Log P: 2.7843702
• 摩尔折射率: 118.3087 cm^3
• 极化性: 44.43416 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.55
• LOG S: -3.25
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 8