N-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)pyridin-2-amine

• ChemBase编号: 706325
• 分子式: C19H21N5O
• 平均质量: 335.40294
• 单一同位素质量: 335.17461032
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CCC(Nc2ncccc2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C19H21N5O/c1-14-5-6-18-22-16(13-24(18)12-14)19(25)23-10-7-15(8-11-23)21-17-4-2-3-9-20-17/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,20,21)
• InChIKey: HAUKSFNWYPSKSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)pyridin-2-amine
• IUPAC传统名: N-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)pyridin-2-amine
• 别名: N-{1-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-piperidinyl}-2-pyridinamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.6185829
• LogD (pH = 7.4): 1.5536723
• Log P: 1.6162592
• 摩尔折射率: 99.3488 cm^3
• 极化性: 36.20615 Å^3
• 极化表面积: 62.53 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.57
• LOG S: -2.99
• 极化表面积: 62.53 Å^2
• 可自由旋转的化学键: 3