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

• ChemBase编号: 592632
• 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)NCCCc1c(ncs1)C
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCCCc1scnc1C
• InChI: InChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)6-4-7-16-15(20)12-9-18-19-8-3-2-5-13(12)19/h9-10H,2-8H2,1H3,(H,16,20)
• InChIKey: CDYBDWBHUODWSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 13.720195
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5484724
• LogD (pH = 7.4): 1.5488422
• Log P: 1.5488471
• 摩尔折射率: 95.1862 cm^3
• 极化性: 31.142193 Å^3
• 极化表面积: 59.81 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: 1
• Log P: 1.6
• LOG S: -2.79
• 极化表面积: 59.81 Å^2
• 可自由旋转的化学键: 5