N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 664114
• 分子式: C14H13N5O
• 平均质量: 267.28592
• 单一同位素质量: 267.11201006
• SMILES: n12c(C(=O)NCc3ncc(nc3)C)cccc1ccn2
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C14H13N5O/c1-10-7-16-11(8-15-10)9-17-14(20)13-4-2-3-12-5-6-18-19(12)13/h2-8H,9H2,1H3,(H,17,20)
• InChIKey: QWWJRTJULUNPTH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.484852
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -5.992713E-4
• LogD (pH = 7.4): -5.301145E-4
• Log P: -5.2920065E-4
• 摩尔折射率: 84.1986 cm^3
• 极化性: 28.196451 Å^3
• 极化表面积: 72.18 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: 4
• 质子供体: 1
• Log P: 0.37
• LOG S: -1.47
• 极化表面积: 72.18 Å^2
• 可自由旋转的化学键: 3