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

• ChemBase编号: 446653
• 分子式: C18H24N4O2
• 平均质量: 328.40876
• 单一同位素质量: 328.18992603
• SMILES: c1(c(n2c(n1)cccc2)CNC(C1CC1)C)C(=O)N1CCOCC1
• Canonical SMILES: CC(C1CC1)NCc1c(nc2n1cccc2)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H24N4O2/c1-13(14-5-6-14)19-12-15-17(18(23)21-8-10-24-11-9-21)20-16-4-2-3-7-22(15)16/h2-4,7,13-14,19H,5-6,8-12H2,1H3
• InChIKey: XVOLYESOYWLPIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-cyclopropylethyl)({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC传统名: (1-cyclopropylethyl)({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• 别名: (1-cyclopropylethyl){[2-(4-morpholinylcarbonyl)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: 1
• LogD (pH = 5.5): -2.1442258
• LogD (pH = 7.4): -0.68184805
• Log P: 0.90039396
• 摩尔折射率: 92.997 cm^3
• 极化性: 35.30724 Å^3
• 极化表面积: 58.87 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: 1
• Log P: 0.83
• LOG S: -2.39
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 5