1h-Pyrazolo[4,3-c]pyridine,5-acetyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl- | 87628-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1h-Pyrazolo[4,3-c]pyridine,5-acetyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-
• 英文别名: 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• CAS: 87628-90-8
• 化学式: C₁₇H₂₀FN₃O
• 分子量: 301.364
• InChiKey: ODCBWWAKLBWMCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  500.4±50.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1h-Pyrazolo[4,3-c]pyridine,5-acetyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl- 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以75%的产率得到1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015
• 作为产物：
  描述：

  N-乙酰基-4-哌啶酮 在 sodium hydride 、 对甲苯磺酸 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 苯 为溶剂， 反应 33.5h， 生成 1h-Pyrazolo[4,3-c]pyridine,5-acetyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015