3-[1-(4-Fluorophenyl)pyrazol-4-yl]-6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazine | 1469884-24-9

• 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-[1-(4-Fluorophenyl)pyrazol-4-yl]-6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazine
• CAS: 1469884-24-9
• 化学式: C₂₁H₂₁FN₆O
• 分子量: 392.436
• InChiKey: JRSLWKGUIMBYLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对氟碘苯 、 在 copper(l) iodide 、 potassium carbonate 、 L-脯氨酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[1-(4-Fluorophenyl)pyrazol-4-yl]-6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazine
  参考文献：
  名称：

  Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues

  摘要：

  The structural diversity and SAR in a series of imidazopyridazine inhibitors of Plasmodium falciparum calcium dependent protein kinase 1 (PfCDPK1) has been explored and extended. The opportunity to further improve key ADME parameters by means of lowering log D was identified, and this was achieved by replacement of a six-membered (hetero)aromatic linker with a pyrazole. A short SAR study has delivered key examples with useful in vitro activity and ADME profiles, good selectivity against a human kinase panel and improved levels of lipophilic ligand efficiency. These new analogues thus provide a credible additional route to further development of the series. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.010