N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 406670
• 分子式: C15H20N4OS
• 平均质量: 304.4105
• 单一同位素质量: 304.13578228
• SMILES: c1(c2n(nc1)CCCC2)C(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)CCc1scnc1C
• InChI: InChI=1S/C15H20N4OS/c1-11-14(21-10-16-11)6-8-18(2)15(20)12-9-17-19-7-4-3-5-13(12)19/h9-10H,3-8H2,1-2H3
• InChIKey: IZYRLNWYSXFBCV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-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): 1.3275887
• LogD (pH = 7.4): 1.3279499
• Log P: 1.3279545
• 摩尔折射率: 95.4383 cm^3
• 极化性: 31.142075 Å^3
• 极化表面积: 51.02 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: 0.74
• LOG S: -2.05
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 4