N-ethyl-N-(6-methoxypyridin-3-yl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide | 1221898-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-ethyl-N-(6-methoxypyridin-3-yl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
• 英文别名: N-ethyl-N-(6-methoxypyridin-3-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
• CAS: 1221898-96-9
• 化学式: C₁₉H₂₀N₄O₂
• 分子量: 336.393
• InChiKey: DANLKCPTWUHRBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲基-1-苯基-1H-吡唑-4-羧酸 、 N-ethyl-6-methoxypyridin-3-amine 生成 N-ethyl-N-(6-methoxypyridin-3-yl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Identification of amide bioisosteres of triazole Oxytocin antagonists

  摘要：

  A series of amides were investigated as potential bioisosteres of previously reported triazole Oxytocin antagonists. A range of potent analogues were identified, although SAR for potency and selectivity over the related V(1A) and V(2) receptors was found to be somewhat divergent from that observed for the corresponding triazole series. The high synthetic accessibility of this new amide series also facilitated the identification of a range of alternative left hand side (biaryl replacement) substituents which gave good levels of Oxytocin antagonism. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.018

文献信息

• Identification of amide bioisosteres of triazole Oxytocin antagonists
  作者：Alan Brown、Dave Ellis、Olga Wallace、Michael Ralph

  DOI：10.1016/j.bmcl.2010.02.018

  日期：2010.4

  A series of amides were investigated as potential bioisosteres of previously reported triazole Oxytocin antagonists. A range of potent analogues were identified, although SAR for potency and selectivity over the related V(1A) and V(2) receptors was found to be somewhat divergent from that observed for the corresponding triazole series. The high synthetic accessibility of this new amide series also facilitated the identification of a range of alternative left hand side (biaryl replacement) substituents which gave good levels of Oxytocin antagonism. (C) 2010 Elsevier Ltd. All rights reserved.