N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 430120
• 分子式: C17H14N4O2
• 平均质量: 306.31866
• 单一同位素质量: 306.11167571
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC1CC(=O)Nc2c1cccc2
• Canonical SMILES: O=C1CC(NC(=O)c2cccc3n2ncc3)c2c(N1)cccc2
• InChI: InChI=1S/C17H14N4O2/c22-16-10-14(12-5-1-2-6-13(12)19-16)20-17(23)15-7-3-4-11-8-9-18-21(11)15/h1-9,14H,10H2,(H,19,22)(H,20,23)
• InChIKey: YLFMHMRPKFITKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• Acid pKa: 13.295681
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.4577379
• LogD (pH = 7.4): 1.4577916
• Log P: 1.4577928
• 摩尔折射率: 97.1166 cm^3
• 极化性: 32.372612 Å^3
• 极化表面积: 75.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 1.02
• LOG S: -2.31
• 极化表面积: 75.5 Å^2
• 可自由旋转的化学键: 2