{imidazo[1,2-a]pyridin-2-ylmethyl}[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amine

• ChemBase编号: 434258
• 分子式: C20H24N4
• 平均质量: 320.43136
• 单一同位素质量: 320.20009679
• SMILES: n1c2n(cc1CNC(CN1Cc3c(CC1)cccc3)C)cccc2
• Canonical SMILES: CC(CN1CCc2c(C1)cccc2)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H24N4/c1-16(13-23-11-9-17-6-2-3-7-18(17)14-23)21-12-19-15-24-10-5-4-8-20(24)22-19/h2-8,10,15-16,21H,9,11-14H2,1H3
• InChIKey: IQKDGKPMHRZQNG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-2-ylmethyl}[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amine
• IUPAC传统名: [1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• 别名: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-2-amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.9389989
• LogD (pH = 7.4): 1.351799
• Log P: 2.5989513
• 摩尔折射率: 99.0223 cm^3
• 极化性: 38.05249 Å^3
• 极化表面积: 32.57 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: 3
• 质子供体: 1
• Log P: 3.12
• LOG S: -3.2
• 极化表面积: 32.57 Å^2
• 可自由旋转的化学键: 5