5-{imidazo[1,2-a]pyridin-6-yl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

• ChemBase编号: 172381
• 分子式: C14H10N4O
• 平均质量: 250.2554
• 单一同位素质量: 250.08546096
• SMILES: c1c(cn2c(c1)ncc2)c1cc(c(=O)[nH]c1C)C#N
• Canonical SMILES: N#Cc1cc(c([nH]c1=O)C)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)
• InChIKey: JPAWFIIYTJQOKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{imidazo[1,2-a]pyridin-6-yl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• IUPAC传统名: olprinone
• 别名: 1,2-Dihydro-5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-3-pyridinecarbonitrile Hydrochloride; Olprinone Hydrochloride; Coretec; E 1020; Loprinone Hydrochloride

登记号

• CAS号: 119615-63-3
• PubChem SID: 164228291
• PubChem CID: 4593

理论计算性质

• Acid pKa: 7.5753675
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.46878245
• LogD (pH = 7.4): 0.075776406
• Log P: 0.116223864
• 摩尔折射率: 73.1734 cm^3
• 极化性: 26.088959 Å^3
• 极化表面积: 70.19 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: Off-White to Pale Beige Solid
• 熔点: >290°C (dec.)

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - L469530

Inotropic agent which inhibits cAMP phosphodiesterase. Cardiotonic.

参考文献

• Tajimi, M., et al.: Arch. Pharmacol., 344, 602 (1991)
• Endoh, M., et al.: Cardiovasc. Drug Rev., 11, 432 (1991)
• Uemura, Y., et al.: J. Pharm. Pharmacol., 45, 1077 (1991)