2-({(3R,6R)-6-methyl-1-[(3-pyrimidin-2-ylthiophen-2-yl)carbonyl]piperidin-3-yl}sulfanyl)pyridine-4-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-({(3R,6R)-6-methyl-1-[(3-pyrimidin-2-ylthiophen-2-yl)carbonyl]piperidin-3-yl}sulfanyl)pyridine-4-carbonitrile
• 英文别名: 2-[(3R,6R)-6-methyl-1-(3-pyrimidin-2-ylthiophene-2-carbonyl)piperidin-3-yl]sulfanylpyridine-4-carbonitrile
• 化学式: C₂₁H₁₉N₅OS₂
• 分子量: 421.547
• InChiKey: LKZDFIMZVKYMKY-GDBMZVCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• THIOETHER-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20160318899A1

  公开（公告）日：2016-11-03

  The present invention is directed to thioether-piperidinyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the thioether-piperidinyl compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• US9617246B2
  申请人：——

  公开号：US9617246B2

  公开（公告）日：2017-04-11