7-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-3-ethylimidazo[1,2-a]pyridine-8-carbonitrile | 1152615-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-3-ethylimidazo[1,2-a]pyridine-8-carbonitrile
• CAS: 1152615-12-7
• 化学式: C₂₀H₂₃N₇
• 分子量: 361.45
• InChiKey: QTNIUOFRRIWJRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-chloro-3-ethylimidazo[1,2-a]pyridine-8-carbonitrile 、 1-(4,6-二乙基-2-嘧啶)哌嗪 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 0.25h， 生成 7-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-3-ethylimidazo[1,2-a]pyridine-8-carbonitrile
  参考文献：
  名称：

  Scaffold hopping from pyridones to imidazo[1,2-a]pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor

  摘要：

  Imidazo[1,2-a] pyridines were identidied via their shape and electrostatic similarity as novel positive allosteric modulators of the metabotropic glutamate 2 receptor. The subsequent synthesis and SAR are described. Potent, selective and metabolically stable compounds were found representing a promising avenue for current further studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.008

文献信息

• Scaffold hopping from pyridones to imidazo[1,2-a]pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor
  作者：Gary Tresadern、Jose María Cid、Gregor J. Macdonald、Juan Antonio Vega、Ana Isabel de Lucas、Aránzazu García、Encarnación Matesanz、María Lourdes Linares、Daniel Oehlrich、Hilde Lavreysen、Ilse Biesmans、Andrés A. Trabanco

  DOI：10.1016/j.bmcl.2009.11.008

  日期：2010.1

  Imidazo[1,2-a] pyridines were identidied via their shape and electrostatic similarity as novel positive allosteric modulators of the metabotropic glutamate 2 receptor. The subsequent synthesis and SAR are described. Potent, selective and metabolically stable compounds were found representing a promising avenue for current further studies. (C) 2009 Elsevier Ltd. All rights reserved.