3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide

• ChemBase编号: 471923
• 分子式: C19H22N4O2
• 平均质量: 338.40358
• 单一同位素质量: 338.17427596
• SMILES: n12c(nc(c1)CCC(=O)N(C(c1ncccc1)COC)C)cccc2
• Canonical SMILES: COCC(N(C(=O)CCc1nc2n(c1)cccc2)C)c1ccccn1
• InChI: InChI=1S/C19H22N4O2/c1-22(17(14-25-2)16-7-3-5-11-20-16)19(24)10-9-15-13-23-12-6-4-8-18(23)21-15/h3-8,11-13,17H,9-10,14H2,1-2H3
• InChIKey: XWZACDAEVHAWON-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide
• IUPAC传统名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide
• 别名: 3-imidazo[1,2-a]pyridin-2-yl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3577133
• LogD (pH = 7.4): 1.0819154
• Log P: 1.1094452
• 摩尔折射率: 95.7591 cm^3
• 极化性: 36.768223 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.31
• LOG S: -1.49
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7