N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 509294
• 分子式: C16H17N5O2
• 平均质量: 311.33848
• 单一同位素质量: 311.13822481
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(CCc1nc(on1)C1CC1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)CCc1noc(n1)C1CC1
• InChI: InChI=1S/C16H17N5O2/c1-20(10-8-14-18-15(23-19-14)11-5-6-11)16(22)13-4-2-3-12-7-9-17-21(12)13/h2-4,7,9,11H,5-6,8,10H2,1H3
• InChIKey: OJRHCVSLIUVPQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8796636
• LogD (pH = 7.4): 1.8797176
• Log P: 1.8797182
• 摩尔折射率: 96.0059 cm^3
• 极化性: 31.763529 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: -0.27
• LOG S: -2.55
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5