1h-Pyrazolo[4,3-c]pyridine,5-acetyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-pentyl- | 87628-92-0

• 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-pentyl-
• 英文别名: 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• CAS: 87628-92-0
• 化学式: C₁₉H₂₄FN₃O
• 分子量: 329.417
• InChiKey: BBFHQJSVPLHZGF-UHFFFAOYSA-N

物化性质

• 沸点：
  518.3±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 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-pentyl- 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以89%的产率得到3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
  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-pentyl-
  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

文献信息

• Pharmacologically active pyrazolo(4,3-c)pyridines
  申请人：GRUPPO LEPETIT S.p.A.

  公开号：EP0086422B1

  公开（公告）日：1987-09-30