N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 545506
• 分子式: C15H17N5O
• 平均质量: 283.32838
• 单一同位素质量: 283.14331019
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: CC(Cc1[nH]nc(c1)C)NC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C15H17N5O/c1-10(8-12-9-11(2)18-19-12)17-15(21)14-5-3-4-13-6-7-16-20(13)14/h3-7,9-10H,8H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: JWZTVWLZQDOKLR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• Acid pKa: 14.538987
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.0526835
• LogD (pH = 7.4): 1.0540462
• Log P: 1.0540637
• 摩尔折射率: 91.8837 cm^3
• 极化性: 30.47574 Å^3
• 极化表面积: 75.08 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: 2
• Log P: 1.24
• LOG S: -2.33
• 极化表面积: 75.08 Å^2
• 可自由旋转的化学键: 4