1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• 英文别名: (4-cyclohexylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
• 化学式: C₁₈H₂₄N₄O
• 分子量: 312.415
• InChiKey: LTHXSLFUXIYRPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  40.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 3-(4-cyclohexyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
  参考文献：
  名称：

  Azaindole derivatives with high affinity for the dopamine D4 receptor: Synthesis, ligand binding studies and comparison of molecular electrostatic potential maps

  摘要：

  Piperazinylmethyl substituted pyrazolo[1,5-a]pyridines and related heterocycles were synthesized and found to recognize selectively the dopamine D4 receptor. For the most potent derivative 10d a Ki value of 2.0 nM was observed. SAR studies including the comparison of molecular isopotential surfaces were performed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00692-1
• 作为产物：
  描述：

  吡唑并[1,5-A]吡啶-3-甲酸乙酯 在 sodium hydroxide 、 草酰氯 作用下， 以 甲醇 为溶剂， 反应 54.5h， 生成 1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
  参考文献：
  名称：

  Azaindole derivatives with high affinity for the dopamine D4 receptor: Synthesis, ligand binding studies and comparison of molecular electrostatic potential maps

  摘要：

  Piperazinylmethyl substituted pyrazolo[1,5-a]pyridines and related heterocycles were synthesized and found to recognize selectively the dopamine D4 receptor. For the most potent derivative 10d a Ki value of 2.0 nM was observed. SAR studies including the comparison of molecular isopotential surfaces were performed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00692-1

文献信息

• Azaindole derivatives with high affinity for the dopamine D4 receptor: Synthesis, ligand binding studies and comparison of molecular electrostatic potential maps
  作者：Stefan Löber、Harald Hübner、Peter Gmeiner

  DOI：10.1016/s0960-894x(98)00692-1

  日期：1999.1

  Piperazinylmethyl substituted pyrazolo[1,5-a]pyridines and related heterocycles were synthesized and found to recognize selectively the dopamine D4 receptor. For the most potent derivative 10d a Ki value of 2.0 nM was observed. SAR studies including the comparison of molecular isopotential surfaces were performed. (C) 1998 Elsevier Science Ltd. All rights reserved.