2-[2-[4-(4-bromo-5-methyl-1H-pyrazol-3-yl)phenyl]ethynyl]-6-methylpyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[2-[4-(4-bromo-5-methyl-1H-pyrazol-3-yl)phenyl]ethynyl]-6-methylpyridine
• 化学式: C₁₈H₁₄BrN₃
• 分子量: 352.2
• InChiKey: IPJGEHKEDRUHJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：AbbVie Inc.

  公开号：EP2922842A2

  公开（公告）日：2015-09-30
• [EN] NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A<br/>[FR] NOUVEAUX COMPOSÉS INHIBITEURS DE PHOSPHODIESTÉRASE DE TYPE 10A
  申请人：ABBVIE INC

  公开号：WO2014079995A2

  公开（公告）日：2014-05-30

  The present invention relates to compounds of the formula I and their salts etc. which are inhibitors of phosphodiesterase type 10A and to their use for the manufacture of a medicament and which thus are suitable for treating or controlling of medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders wherein Y1 and Y2 are adjacent atoms in Het1, which are independently selected from the group consisting of carbon and nitrogen; k is 0, 1, 2 or 3; Het1 is a bivalent monocyclic 5- or 6-membered heteroaromatic radical, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N-Ra as ring members, or a bivalent fused bicyclic 8-, 9- or 10-membered heteroaromatic radical, having 1, 2, 3 or 4 heteroatoms or heteroatom moieties selected from O, S, N and N-Ra as ring members; Het2 is inter alia monocyclic 5- or 6-membered hetaryl, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N-R1a as ring members, Cyc is inter alia optionally substituted monocyclic 5- or 6-membered hetaryl or optionally substituted fused 8-, 9- or 10-membered bicyclic hetaryl; Ar is optionally substituted phenylene or optionally substituted bivalent 6-membered hetaryl; R is attached to a carbon atom of Het1 and inter alia - halogen, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C1-C6-alkoxy, C1-C6-fluoroalkyl, C1-C6-fluoroalkoxy, C3-C6-cycloalkyl etc.