3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine | 1259851-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• CAS: 1259851-28-9
• 化学式: C₁₅H₁₂N₄
• 分子量: 248.287
• InChiKey: IYIUYALZRRAAGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
  参考文献：
  名称：

  Identification of potent ITK inhibitors through focused compound library design including structural information

  摘要：

  A series of novel compound libraries inhibiting interleukin-2 inducible T cell kinase (ITK) were designed, synthesized and evaluated. In the first design cycle two library scaffolds were identified showing low micromolar inhibition of ITK. Further iterative design cycles including crystal structure information of ITK and structurally related kinases led to the identification of indolylindazole and indolylpyrazolopyridine compounds with low nanomolar ITK inhibition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.119