N-[1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 730249
• 分子式: C18H19N3O2
• 平均质量: 309.36236
• 单一同位素质量: 309.14772686
• SMILES: c1(C(=O)N(C(c2c(OC)cccc2)C)C)c2n(nc1)cccc2
• Canonical SMILES: COc1ccccc1C(N(C(=O)c1cnn2c1cccc2)C)C
• InChI: InChI=1S/C18H19N3O2/c1-13(14-8-4-5-10-17(14)23-3)20(2)18(22)15-12-19-21-11-7-6-9-16(15)21/h4-13H,1-3H3
• InChIKey: PRXDKFHBECHBLH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-[1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-[1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7845416
• LogD (pH = 7.4): 2.784552
• Log P: 2.7845523
• 摩尔折射率: 100.3443 cm^3
• 极化性: 34.422756 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.93
• LOG S: -3.1
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 4