N-[(2-chlorophenyl)methyl]-N-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(2-chlorophenyl)methyl]-N-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
• 化学式: C₁₉H₂₂ClF₃N₄O
• 分子量: 414.9
• InChiKey: OULDLENUMXTXQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] PKM2 MODULATORS AND METHODS FOR THEIR USE<br/>[FR] MODULATEURS DE PKM2 ET PROCÉDÉS POUR LES UTILISER
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2014062838A2

  公开（公告）日：2014-04-24

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.