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

• ChemBase编号: 383143
• 分子式: C20H29N5O2
• 平均质量: 371.47656
• 单一同位素质量: 371.23212519
• SMILES: c1(nc2n(c1CNCCN1CCCCC1)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCN1CCCCC1)cccc2)N1CCOCC1
• InChI: InChI=1S/C20H29N5O2/c26-20(24-12-14-27-15-13-24)19-17(25-10-5-2-6-18(25)22-19)16-21-7-11-23-8-3-1-4-9-23/h2,5-6,10,21H,1,3-4,7-9,11-16H2
• InChIKey: VPMDDDLPZPHEET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(piperidin-1-yl)ethyl]amine
• IUPAC传统名: {[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(piperidin-1-yl)ethyl]amine
• 别名: N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-(1-piperidinyl)ethanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -2.4999952
• LogD (pH = 7.4): -0.78260076
• Log P: 0.57225233
• 摩尔折射率: 106.7973 cm^3
• 极化性: 40.51386 Å^3
• 极化表面积: 62.11 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: 6
• 质子供体: 1
• Log P: 1.13
• LOG S: -1.71
• 极化表面积: 62.11 Å^2
• 可自由旋转的化学键: 6