4,5-dichloro-N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-1-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide | 1202235-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4,5-dichloro-N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-1-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
• 英文别名: 4,5-dichloro-N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1-methylpyrazol-3-yl]thiophene-2-sulfonamide
• CAS: 1202235-72-0
• 化学式: C₂₄H₁₇Cl₂F₃N₄O₂S₂
• 分子量: 585.458
• InChiKey: HLHSWWINFAXUTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二氯-5-氯磺酰基噻吩 、 5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-1-methyl-1H-pyrazol-3-amine 在 吡啶 、 4-二甲氨基吡啶 作用下， 以33%的产率得到4,5-dichloro-N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-1-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
  参考文献：
  名称：

  A general approach to indole-7-yl derivatives of isoxazole, oxadiazole, thiadiazole and pyrazole

  摘要：

  Isosteric replacement of the alpha,beta-unsaturated amide at the C-7 position of indoles with a diverse set of five-membered amino-heterocycles including isoxazole, oxadiazole, thiadiazole and pyrazole followed by subsequent derivatization of the heterocyclic amino group to yield amides, sulfonamides and phosphoramides is described. Distinctive features of these procedures include the versatility and robust nature of the synthetic steps along with the high yields of the targeted molecules. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.073

文献信息

• A general approach to indole-7-yl derivatives of isoxazole, oxadiazole, thiadiazole and pyrazole
  作者：Alexandre M. Polozov、Georgeta Hategan、Hua Cao、Alex S. Kiselyov、Wayne Zeller、Jasbir Singh

  DOI：10.1016/j.tetlet.2009.11.073

  日期：2010.1

  Isosteric replacement of the alpha,beta-unsaturated amide at the C-7 position of indoles with a diverse set of five-membered amino-heterocycles including isoxazole, oxadiazole, thiadiazole and pyrazole followed by subsequent derivatization of the heterocyclic amino group to yield amides, sulfonamides and phosphoramides is described. Distinctive features of these procedures include the versatility and robust nature of the synthetic steps along with the high yields of the targeted molecules. (C) 2009 Elsevier Ltd. All rights reserved.