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

• ChemBase编号: 591159
• 分子式: C16H19N5O2
• 平均质量: 313.35436
• 单一同位素质量: 313.15387487
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1nc(on1)CCC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)c1cccc2n1ncc2)CC
• InChI: InChI=1S/C16H19N5O2/c1-3-6-15-18-14(19-23-15)11-20(4-2)16(22)13-8-5-7-12-9-10-17-21(12)13/h5,7-10H,3-4,6,11H2,1-2H3
• InChIKey: QIJUMEANIZOCTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[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): 2.3926795
• LogD (pH = 7.4): 2.3927333
• Log P: 2.3927338
• 摩尔折射率: 97.8838 cm^3
• 极化性: 32.481903 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.18
• LOG S: -2.49
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6