3-(4-fluorophenyl)-5-(2-methylethyl)-1-(phenylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo<4,3-c>pyridine | 87628-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-fluorophenyl)-5-(2-methylethyl)-1-(phenylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo<4,3-c>pyridine
• 英文别名: 1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-；1-benzyl-3-(4-fluorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• CAS: 87628-22-6
• 化学式: C₂₂H₂₄FN₃
• 分子量: 349.451
• InChiKey: BVXZOTWXLKKERM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-fluorophenyl)-1-(phenylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo<4,3-c>pyridine 、 2-溴丙烷 在 potassium carbonate 、 potassium iodide 作用下， 以 丁酮 为溶剂， 反应 24.0h， 以94%的产率得到3-(4-fluorophenyl)-5-(2-methylethyl)-1-(phenylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo<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