N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 359673
• 分子式: C20H20N6O2
• 平均质量: 376.4118
• 单一同位素质量: 376.16477391
• SMILES: c1(c2c(n(n1)C)cccc2N1CCOCC1)NC(=O)c1n2c(ccn2)ccc1
• Canonical SMILES: O=C(c1cccc2n1ncc2)Nc1nn(c2c1c(ccc2)N1CCOCC1)C
• InChI: InChI=1S/C20H20N6O2/c1-24-15-5-3-6-16(25-10-12-28-13-11-25)18(15)19(23-24)22-20(27)17-7-2-4-14-8-9-21-26(14)17/h2-9H,10-13H2,1H3,(H,22,23,27)
• InChIKey: AGSRIWIUKGAKCF-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 12.724964
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.4457452
• LogD (pH = 7.4): 2.445805
• Log P: 2.4458077
• 摩尔折射率: 130.4366 cm^3
• 极化性: 41.10383 Å^3
• 极化表面积: 76.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.6
• LOG S: -4.42
• 极化表面积: 76.69 Å^2
• 可自由旋转的化学键: 3