N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 573398
• 分子式: C22H26N4O
• 平均质量: 362.46804
• 单一同位素质量: 362.21066147
• SMILES: c1(C(=O)N(CCc2ccccc2)C2CCN(CC2)C)c2n(nc1)cccc2
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1cnn2c1cccc2)CCc1ccccc1
• InChI: InChI=1S/C22H26N4O/c1-24-14-11-19(12-15-24)25(16-10-18-7-3-2-4-8-18)22(27)20-17-23-26-13-6-5-9-21(20)26/h2-9,13,17,19H,10-12,14-16H2,1H3
• InChIKey: RMDNFASUEWWWMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)pyrazolo[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): 0.058366004
• LogD (pH = 7.4): 1.8244468
• Log P: 2.841116
• 摩尔折射率: 119.6684 cm^3
• 极化性: 41.933353 Å^3
• 极化表面积: 40.85 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: 3
• 质子供体: 0
• Log P: 2.68
• LOG S: -4.13
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5