N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase编号: 527810
• 分子式: C19H23N5O
• 平均质量: 337.41882
• 单一同位素质量: 337.19026038
• SMILES: c12n(c(cn1)CC(=O)NCC1(Cn3c(ncc3)C)CC1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C19H23N5O/c1-14-4-3-8-24-16(11-21-18(14)24)10-17(25)22-12-19(5-6-19)13-23-9-7-20-15(23)2/h3-4,7-9,11H,5-6,10,12-13H2,1-2H3,(H,22,25)
• InChIKey: CSLUHPKHNBOBDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)acetamide
• 别名: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.50894
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.9613074
• LogD (pH = 7.4): 0.5506908
• Log P: 0.8453543
• 摩尔折射率: 97.0853 cm^3
• 极化性: 36.591293 Å^3
• 极化表面积: 64.22 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: 3
• 质子供体: 1
• Log P: 0.45
• LOG S: -2.04
• 极化表面积: 64.22 Å^2
• 可自由旋转的化学键: 6