N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase编号: 524679
• 分子式: C24H28N4O2
• 平均质量: 404.50472
• 单一同位素质量: 404.22122616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CNC1c2c(CCC1)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC1CCCc3c1cccc3)cccc2C)N1CCOCC1
• InChI: InChI=1S/C24H28N4O2/c1-17-6-5-11-28-21(16-25-20-10-4-8-18-7-2-3-9-19(18)20)22(26-23(17)28)24(29)27-12-14-30-15-13-27/h2-3,5-7,9,11,20,25H,4,8,10,12-16H2,1H3
• InChIKey: GDSJFTHYVKGXJO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC传统名: N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• 别名: N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydro-1-naphthalenamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.23024157
• LogD (pH = 7.4): 1.9409349
• Log P: 2.929929
• 摩尔折射率: 118.4718 cm^3
• 极化性: 44.735786 Å^3
• 极化表面积: 58.87 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: 2.18
• LOG S: -4.01
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4