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

• ChemBase编号: 832241
• 分子式: C24H28N4O2
• 平均质量: 404.50472
• 单一同位素质量: 404.22122616
• SMILES: c1(c(n2c(n1)cccc2)CN(CC1CC1)Cc1ccccc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN(Cc1ccccc1)CC1CC1)cccc2)N1CCOCC1
• InChI: InChI=1S/C24H28N4O2/c29-24(27-12-14-30-15-13-27)23-21(28-11-5-4-8-22(28)25-23)18-26(17-20-9-10-20)16-19-6-2-1-3-7-19/h1-8,11,20H,9-10,12-18H2
• InChIKey: RQXXFFBQQXRGIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl(cyclopropylmethyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC传统名: benzyl(cyclopropylmethyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: N-benzyl-1-cyclopropyl-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.15337834
• LogD (pH = 7.4): 1.6167285
• Log P: 2.59134
• 摩尔折射率: 118.4855 cm^3
• 极化性: 44.892242 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.75
• LOG S: -2.28
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 7