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

• ChemBase编号: 755586
• 分子式: C17H19N5O2
• 平均质量: 325.36506
• 单一同位素质量: 325.15387487
• SMILES: n12c(C(=O)NCc3nc(no3)C3CCCCC3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C17H19N5O2/c23-17(14-8-4-7-13-9-10-19-22(13)14)18-11-15-20-16(21-24-15)12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,23)
• InChIKey: AVUVAGIEVVTKPJ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.209548
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.7140136
• LogD (pH = 7.4): 2.714068
• Log P: 2.7140687
• 摩尔折射率: 100.2128 cm^3
• 极化性: 33.59698 Å^3
• 极化表面积: 85.32 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: 5
• 质子供体: 1
• Log P: 2.07
• LOG S: -3.34
• 极化表面积: 85.32 Å^2
• 可自由旋转的化学键: 4