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

• ChemBase编号: 659420
• 分子式: C18H15N5O2
• 平均质量: 333.344
• 单一同位素质量: 333.12257475
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1nc(no1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C18H15N5O2/c1-22(18(24)15-9-5-8-14-10-11-19-23(14)15)12-16-20-17(21-25-16)13-6-3-2-4-7-13/h2-11H,12H2,1H3
• InChIKey: KGSYIOROWJANGK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-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): 2.817026
• LogD (pH = 7.4): 2.8170795
• Log P: 2.8170803
• 摩尔折射率: 114.694 cm^3
• 极化性: 35.45044 Å^3
• 极化表面积: 76.53 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: 0
• Log P: 2.1
• LOG S: -3.42
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4