N-[(4-sulfamoylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 617450
• 分子式: C15H14N4O3S
• 平均质量: 330.36166
• 单一同位素质量: 330.07866133
• SMILES: n12c(C(=O)NCc3ccc(S(=O)(=O)N)cc3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H14N4O3S/c16-23(21,22)13-6-4-11(5-7-13)10-17-15(20)14-3-1-2-12-8-9-18-19(12)14/h1-9H,10H2,(H,17,20)(H2,16,21,22)
• InChIKey: BAQUZSOTNJIBEK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-sulfamoylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-[(4-sulfamoylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-[4-(aminosulfonyl)benzyl]pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• Acid pKa: 10.217239
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.827942
• LogD (pH = 7.4): 0.8274181
• Log P: 0.82800436
• 摩尔折射率: 96.601 cm^3
• 极化性: 33.518353 Å^3
• 极化表面积: 106.56 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: 4
• 质子供体: 2
• Log P: 0.51
• LOG S: -2.04
• 极化表面积: 106.56 Å^2
• 可自由旋转的化学键: 4