N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyrazolo[1,5-a]pyridine-2-carboxamide

• ChemBase编号: 630454
• 分子式: C15H15N5O
• 平均质量: 281.3125
• 单一同位素质量: 281.12766013
• SMILES: c1(nn2c(c1)cccc2)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(c1cc2n(n1)cccc2)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H15N5O/c21-15(12-9-11-5-1-4-8-20(11)18-12)17-14-10-16-13-6-2-3-7-19(13)14/h1,4-5,8-10H,2-3,6-7H2,(H,17,21)
• InChIKey: KEUWBMCBTRDQSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyrazolo[1,5-a]pyridine-2-carboxamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyrazolo[1,5-a]pyridine-2-carboxamide
• 别名: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 12.356803
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.316329
• LogD (pH = 7.4): 1.9427358
• Log P: 1.9700515
• 摩尔折射率: 90.1812 cm^3
• 极化性: 29.867289 Å^3
• 极化表面积: 64.22 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: 1
• Log P: 1.27
• LOG S: -2.34
• 极化表面积: 64.22 Å^2
• 可自由旋转的化学键: 2