N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase编号: 508912
• 分子式: C20H24N4O3
• 平均质量: 368.42956
• 单一同位素质量: 368.18484065
• SMILES: c1(n2c(nc1C)cccc2)CN(C(=O)c1cc(oc1)CN1CCOCC1)C
• Canonical SMILES: CN(C(=O)c1coc(c1)CN1CCOCC1)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C20H24N4O3/c1-15-18(24-6-4-3-5-19(24)21-15)13-22(2)20(25)16-11-17(27-14-16)12-23-7-9-26-10-8-23/h3-6,11,14H,7-10,12-13H2,1-2H3
• InChIKey: UQIKUAFPFXDKMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC传统名: N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• 别名: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-5-(4-morpholinylmethyl)-3-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.38351825
• LogD (pH = 7.4): 0.5883724
• Log P: 0.6165292
• 摩尔折射率: 103.8979 cm^3
• 极化性: 38.738815 Å^3
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.56
• LOG S: -2.36
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 5