N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase编号: 423387
• 分子式: C15H22N4O
• 平均质量: 274.36138
• 单一同位素质量: 274.17936134
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1C2(C1)CCNCC2
• Canonical SMILES: O=C(C1CC21CCNCC2)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H22N4O/c20-14(11-9-15(11)4-6-16-7-5-15)18-13-10-17-12-3-1-2-8-19(12)13/h10-11,16H,1-9H2,(H,18,20)
• InChIKey: WPASLITXQFWLTB-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}-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-6-azaspiro[2.5]octane-1-carboxamide
• 别名: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-azaspiro[2.5]octane-1-carboxamide

理论计算性质

JChem

• Acid pKa: 13.725899
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.4728723
• LogD (pH = 7.4): -2.1376169
• Log P: 0.4270078
• 摩尔折射率: 77.6159 cm^3
• 极化性: 29.628061 Å^3
• 极化表面积: 58.95 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: 0.6
• LOG S: -1.71
• 极化表面积: 58.95 Å^2
• 可自由旋转的化学键: 2