3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidine

• ChemBase编号: 340133
• 分子式: C19H25N5
• 平均质量: 323.4353
• 单一同位素质量: 323.21099583
• SMILES: c1(nc(n2c1cccc2)C)CN1CC(Cn2c(ncc2)C)CCC1
• Canonical SMILES: Cc1nccn1CC1CCCN(C1)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C19H25N5/c1-15-20-8-11-23(15)13-17-6-5-9-22(12-17)14-18-19-7-3-4-10-24(19)16(2)21-18/h3-4,7-8,10-11,17H,5-6,9,12-14H2,1-2H3
• InChIKey: KJGVKMOIEMECNW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidine
• IUPAC传统名: 1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)-3-[(2-methylimidazol-1-yl)methyl]piperidine
• 别名: 3-methyl-1-({3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-piperidinyl}methyl)imidazo[1,5-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.0619485
• LogD (pH = 7.4): -0.045872193
• Log P: 1.0976498
• 摩尔折射率: 97.3303 cm^3
• 极化性: 37.51333 Å^3
• 极化表面积: 38.36 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: 3
• 质子供体: 0
• Log P: 1.26
• LOG S: -1.63
• 极化表面积: 38.36 Å^2
• 可自由旋转的化学键: 4