3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | 1265679-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• 英文别名: 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 1265679-32-0
• 化学式: C₂₁H₂₄N₈
• 分子量: 388.475
• InChiKey: PYMKGEWOFSUSQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(3-(1-methyl-1H-pyrazol-4-yl)-7-((pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach—Part 1

  摘要：

  The synthesis and hit-to-lead SAR development of a pyrazolo[1,5-a]pyrimidine hit 4 is described leading to a series of potent, selective CHK1 inhibitors such as compound 17r. In the Letter, the further utility of the pyrazolo[1,5-a]pyrimidine template for the development of potent, selective kinase inhibitors is detailed. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.113

文献信息

• Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach—Part 1
  作者：Michael P. Dwyer、Kamil Paruch、Marc Labroli、Carmen Alvarez、Kerry M. Keertikar、Cory Poker、Randall Rossman、Thierry O. Fischmann、Jose S. Duca、Vincent Madison、David Parry、Nicole Davis、Wolfgang Seghezzi、Derek Wiswell、Timothy J. Guzi

  DOI：10.1016/j.bmcl.2010.10.113

  日期：2011.1

  The synthesis and hit-to-lead SAR development of a pyrazolo[1,5-a]pyrimidine hit 4 is described leading to a series of potent, selective CHK1 inhibitors such as compound 17r. In the Letter, the further utility of the pyrazolo[1,5-a]pyrimidine template for the development of potent, selective kinase inhibitors is detailed. (c) 2010 Elsevier Ltd. All rights reserved.