N-methyl-N-(quinolin-5-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 748378
• 分子式: C19H20N4O
• 平均质量: 320.3883
• 单一同位素质量: 320.16371128
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)ccc2)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)Cc1cccc2c1cccn2
• InChI: InChI=1S/C19H20N4O/c1-22(13-14-6-4-8-17-15(14)7-5-10-20-17)19(24)16-12-21-23-11-3-2-9-18(16)23/h4-8,10,12H,2-3,9,11,13H2,1H3
• InChIKey: RZLPNDBVIHMKQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-(quinolin-5-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-methyl-N-(quinolin-5-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-methyl-N-(5-quinolinylmethyl)-4,5,6,7-tetrahydropyrazolo[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): 2.2562242
• LogD (pH = 7.4): 2.2741122
• Log P: 2.2743456
• 摩尔折射率: 104.9102 cm^3
• 极化性: 36.34739 Å^3
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.51
• LOG S: -2.83
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 3