(4,4-difluoro-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(3-(pyrimidin-2-yl)-6-(trifluoromethyl)pyridin-2-yl)methanone | 1454290-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (4,4-difluoro-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(3-(pyrimidin-2-yl)-6-(trifluoromethyl)pyridin-2-yl)methanone
• 英文别名: (RS)(4,4-difluoro-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(3-(pyrimidin-2-yl)-6-(trifluoromethyl)pyridin-2-yl)methanone；[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-[3-pyrimidin-2-yl-6-(trifluoromethyl)pyridin-2-yl]methanone
• CAS: 1454290-92-6
• 化学式: C₂₃H₁₈F₈N₆O
• 分子量: 546.423
• InChiKey: GACDKIKUJLDEIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  14

文献信息

• 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS
  申请人：ROTTAPHARM BIOTECH S.R.L.

  公开号：US20150051226A1

  公开（公告）日：2015-02-19

  The invention, in a first aspect relates to compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein R is a 6-membered aromatic ring, or a 5- or 6-membered heteroaromatic ring comprising 1 to 3 heteroatoms selected from S, O and N, or a 6-membered benzocondensed heteroaromatic ring containing N as heteroatom, optionally each of said rings being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl, cyano, trifluoromethyl, dimethylamino, or phenyl which optionally is substituted with one or more halogen atoms, or a 5- or 6-membered heterocycle containing from one to three nitrogen atoms; X is O or N; P is pyridyl, pyrimidyl, pyrazyl, or pyridazyl, each being optionally substituted with one or more substituents selected from the group consisting of (C1-C3)alkyl, halogen, trifluoromethyl, and cyano, and use thereof as pharmaceuticals.

  该发明在第一个方面涉及以下式(I)的化合物或其药学上可接受的盐，其中R是一个6-成员芳香环，或者包含1到3个来自S、O和N的杂原子的5-或6-成员杂芳环，或者是一个含有N作为杂原子的6-成员苯并杂芳环，其中每个环都可以用(C1-C3)烷基、(C3-C5)环烷氧基、(C1-C3)烷基羰基、氰基、三氟甲基、二甲胺基或苯基取代，苯基可以选择性地用一个或多个卤素原子取代，或者是一个含有一到三个氮原子的5-或6-成员杂环；X是O或N；P是吡啶基、嘧啶基、吡唑基或吡啶嗪基，每个基可以选择性地用一个或多个(C1-C3)烷基、卤素、三氟甲基和氰基取代，并且其用作药物。
• US9493438B2
  申请人：——

  公开号：US9493438B2

  公开（公告）日：2016-11-15