1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenylpiperazine

• ChemBase编号: 606496
• 分子式: C19H20N4O
• 平均质量: 320.3883
• 单一同位素质量: 320.16371128
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCN(CC1)c1ccccc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H20N4O/c1-15-7-8-23-14-17(20-18(23)13-15)19(24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
• InChIKey: YOJKGFRLNJLOHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenylpiperazine
• IUPAC传统名: 1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-4-phenylpiperazine
• 别名: 7-methyl-2-[(4-phenyl-1-piperazinyl)carbonyl]imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6866264
• LogD (pH = 7.4): 2.6949468
• Log P: 2.6950533
• 摩尔折射率: 96.026 cm^3
• 极化性: 35.26258 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.85
• LOG S: -4.57
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 2