[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

• 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: [3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• 化学式: C₂₂H₁₉F₄N₅O₂
• 分子量: 461.4
• InChiKey: ZPWSVYKJKFHIMO-VUCTXSBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20150174129A1

  公开（公告）日：2015-06-25

  The present invention is directed to compounds of Formula I: wherein X is N or CR 1 ; Y is N or CR 2 ; R 1 is H, alkoxy, halo, triazolyl, pyrimidinyl, oxazolyl, isoxazole, oxadiazolyl, or pyrazolyl; R 2 is H, alkyl, alkoxy, or halo; Z is NH or O; R 3 is H, alkyl, alkoxy, halo, or triazolyl; R 4 is H or alkyl; or R 3 and R 4 , together with the atoms to which they are attached, form a 6-membered aryl ring or a 5- or 6-membered heteroaryl ring; R 5 is pyridyl, pyrazinyl, or pyrimidinyl, wherein the pyridyl, pyrazinyl, or pyrimidinyl is optionally substituted with halo or alkyl; and n is 1 or 2. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及式I的化合物：其中X为N或CR1；Y为N或CR2；R1为H，烷氧基，卤素，三唑基，嘧啶基，噁唑基，异噁唑基，噻二唑基或吡唑基；R2为H，烷基，烷氧基或卤素；Z为NH或O；R3为H，烷基，烷氧基，卤素或三唑基；R4为H或烷基；或R3和R4与它们所连接的原子一起形成一个6元芳基环或5或6元杂芳基环；R5为吡啶基，吡嗪基或嘧啶基，其中吡啶基，吡嗪基或嘧啶基可以选择性地用卤素或烷基取代；n为1或2。本发明还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的制药组合物。使用本发明中的化合物的方法也在本发明的范围内。
• Substituted 2-azabicycles and their use as orexin receptor modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10183953B2

  公开（公告）日：2019-01-22

  The present invention is directed to compounds of Formula I: wherein X is N or CR1; Y is N or CR2; R1 is H, alkoxy, halo, triazolyl, pyrimidinyl, oxazolyl, isoxazole, oxadiazolyl, or pyrazolyl; R2 is H, alkyl, alkoxy, or halo; Z is NH or O; R3 is H, alkyl, alkoxy, halo, or triazolyl; R4 is H or alkyl; or R3 and R4, together with the atoms to which they are attached, form a 6-membered aryl ring or a 5- or 6-membered heteroaryl ring; R5 is pyridyl, pyrazinyl, or pyrimidinyl, wherein the pyridyl, pyrazinyl, or pyrimidinyl is optionally substituted with halo or alkyl; and n is 1 or 2. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及式 I 的化合物： 其中 X 是 N 或 CR1；Y 是 N 或 CR2；R1 是 H、烷氧基、卤代、三唑基、嘧啶基、噁唑基、异噁唑基、噁二唑基或吡唑基；R2 是 H、烷基、烷氧基或卤代；Z 是 NH 或 O；R3 是 H、烷基、烷氧基、卤代或三唑基；R4 是 H 或烷基；或 R3 和 R4 与它们所连接的原子一起形成 6 元芳基环或 5 元或 6 元杂芳基环； R5 是吡啶基、吡嗪基或嘧啶基，其中吡啶基、吡嗪基或嘧啶基任选被卤素或烷基取代；以及 n 是 1 或 2。本发明还描述了制造式 I 化合物的方法。本发明还涉及包含式 I 化合物的药物组合物。本发明化合物的使用方法也属于本发明的范围。
• US20140275118A1
  申请人：——

  公开号：US20140275118A1

  公开（公告）日：2014-09-18
• Substituted 2-Azabicycles And Their Use As Orexin Receptor Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20170204096A1

  公开（公告）日：2017-07-20

  The present invention is directed to compounds of Formula I: wherein X is N or CR 1 ; Y is N or CR 2 ; R 1 is H, alkoxy, halo, triazolyl, pyrimidinyl, oxazolyl, isoxazole, oxadiazolyl, or pyrazolyl; R 2 is H, alkyl, alkoxy, or halo; Z is NH or O; R 3 is H, alkyl, alkoxy, halo, or triazolyl; R 4 is H or alkyl; or R 3 and R 4 , together with the atoms to which they are attached, form a 6-membered aryl ring or a 5- or 6-membered heteroaryl ring; R 5 is pyridyl, pyrazinyl, or pyrimidinyl, wherein the pyridyl, pyrazinyl, or pyrimidinyl is optionally substituted with halo or alkyl; and n is 1 or 2. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.
• US8969352B2
  申请人：——

  公开号：US8969352B2

  公开（公告）日：2015-03-03