(dicyclopropylmethyl)(methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase编号: 701321
• 分子式: C21H28N4O2
• 平均质量: 368.47262
• 单一同位素质量: 368.22122616
• SMILES: c1(c(n2c(n1)cccc2)CN(C(C1CC1)C1CC1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(C(C1CC1)C1CC1)Cc1c(nc2n1cccc2)C(=O)N1CCOCC1
• InChI: InChI=1S/C21H28N4O2/c1-23(20(15-5-6-15)16-7-8-16)14-17-19(21(26)24-10-12-27-13-11-24)22-18-4-2-3-9-25(17)18/h2-4,9,15-16,20H,5-8,10-14H2,1H3
• InChIKey: XRTWGFODPSJUEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dicyclopropylmethyl)(methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC传统名: (dicyclopropylmethyl)(methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: (dicyclopropylmethyl)methyl{[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.5529318
• LogD (pH = 7.4): -0.023171118
• Log P: 1.7072113
• 摩尔折射率: 105.4851 cm^3
• 极化性: 40.099834 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.81
• LOG S: -2.58
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6