N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)cyclopropanamine

• ChemBase编号: 519829
• 分子式: C17H21N5
• 平均质量: 295.38214
• 单一同位素质量: 295.1796957
• SMILES: c1(nc(n2c1cccc2)C)CN(C1CC1)Cc1cn(nc1)C
• Canonical SMILES: Cn1ncc(c1)CN(C1CC1)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C17H21N5/c1-13-19-16(17-5-3-4-8-22(13)17)12-21(15-6-7-15)11-14-9-18-20(2)10-14/h3-5,8-10,15H,6-7,11-12H2,1-2H3
• InChIKey: UETDVIGYJNYMEI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)cyclopropanamine
• IUPAC传统名: N-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
• 别名: N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.37802365
• LogD (pH = 7.4): 0.69842935
• Log P: 1.1752367
• 摩尔折射率: 99.5251 cm^3
• 极化性: 33.892776 Å^3
• 极化表面积: 38.36 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: 0
• Log P: 1.3
• LOG S: -1.46
• 极化表面积: 38.36 Å^2
• 可自由旋转的化学键: 5