N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase编号: 669119
• 分子式: C17H22N4O3
• 平均质量: 330.38158
• 单一同位素质量: 330.16919058
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H22N4O3/c22-17(19-16-10-18-15-3-1-2-4-21(15)16)13-9-14(24-12-13)11-20-5-7-23-8-6-20/h9-10,12H,1-8,11H2,(H,19,22)
• InChIKey: HBZUCRRKWBAOCU-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}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• 别名: 5-(morpholin-4-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-furamide

理论计算性质

JChem

• Acid pKa: 11.961384
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.14622594
• LogD (pH = 7.4): 0.8028324
• Log P: 0.837407
• 摩尔折射率: 90.6414 cm^3
• 极化性: 33.839878 Å^3
• 极化表面积: 72.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: -0.07
• LOG S: -2.86
• 极化表面积: 72.53 Å^2
• 可自由旋转的化学键: 4