2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-pyrazol-3-yl]phenyl}pyrazine

• ChemBase编号: 523444
• 分子式: C23H20N6
• 平均质量: 380.4451
• 单一同位素质量: 380.17494467
• SMILES: n12c(nc(c1)Cn1nc(cc1)c1cc(c3nccnc3C)ccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)Cn1ccc(n1)c1cccc(c1)c1nccnc1C
• InChI: InChI=1S/C23H20N6/c1-16-6-7-22-26-20(14-28(22)13-16)15-29-11-8-21(27-29)18-4-3-5-19(12-18)23-17(2)24-9-10-25-23/h3-14H,15H2,1-2H3
• InChIKey: JRLJPLADCOSMGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-pyrazol-3-yl]phenyl}pyrazine
• IUPAC传统名: 2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyrazol-3-yl]phenyl}pyrazine
• 别名: 6-methyl-2-({3-[3-(3-methyl-2-pyrazinyl)phenyl]-1H-pyrazol-1-yl}methyl)imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5296671
• LogD (pH = 7.4): 3.2415962
• Log P: 3.2689526
• 摩尔折射率: 123.7775 cm^3
• 极化性: 45.16371 Å^3
• 极化表面积: 60.9 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: 4
• 质子供体: 0
• Log P: 3.53
• LOG S: -4.99
• 极化表面积: 60.9 Å^2
• 可自由旋转的化学键: 4