N-(4-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 687760
• 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)NC1C(=O)Nc2c1c(ccc2)C
• Canonical SMILES: O=C1Nc2c(C1NC(=O)c1cccc3n1ncc3)c(C)ccc2
• InChI: InChI=1S/C17H14N4O2/c1-10-4-2-6-12-14(10)15(17(23)19-12)20-16(22)13-7-3-5-11-8-9-18-21(11)13/h2-9,15H,1H3,(H,19,23)(H,20,22)
• InChIKey: AKAJCHHHSBFOAY-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 11.654813
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.8863356
• LogD (pH = 7.4): 1.8863684
• Log P: 1.8863907
• 摩尔折射率: 97.5335 cm^3
• 极化性: 32.29517 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: 1.5
• LOG S: -2.71
• 极化表面积: 75.5 Å^2
• 可自由旋转的化学键: 2