3-Isopropyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid | 1119450-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: 3-Isopropyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• 英文别名: 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• CAS: 1119450-90-6
• 化学式: C₁₀H₁₁N₃O₂
• mdl: MFCD07376865
• 分子量: 205.21
• InChiKey: HPWZAVFUAMIBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20150315197A1

  公开（公告）日：2015-11-05

  The present invention provides a compound having the structure: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are each independently H, halogen, CF 3 or C 1 -C 4 alkyl, wherein two or more of R 1 , R 2 , R 3 , R 4 , or R 5 are other than H; R 6 is H, OH, or halogen; and B is a substituted or unsubstituted heterobicycle, wherein when R 1 is CF 3 , R 2 is H, R 3 is F, R 4 is H, and R 5 is H, or R 1 is H, R 2 is CF 3 , R 3 is H, R 4 is CF 3 , and R 5 is H, or R 1 is Cl, R 2 is H, R 3 is H, R 4 is F, and R 5 is H, or R 1 is CF 3 , R 2 is H, R 3 is F, R 4 is H, and R 5 is H, or R 1 is CF 3 , R 2 is F, R 3 is H, R 4 is H, and R 5 is H, or R 1 is Cl, R 2 is F, R 3 is H, R 4 is H, and R 5 is H, then B is other than or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物：其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基，其中R1、R2、R3、R4或R5中的两个或更多个不是H；R6为H、OH或卤素；B为取代或未取代的杂环，其中当R1为CF3、R2为H、R3为F、R4为H和R5为H，或者R1为H、R2为CF3、R3为H、R4为CF3和R5为H，或者R1为Cl、R2为H、R3为H、R4为F和R5为H，或者R1为CF3、R2为H、R3为F、R4为H和R5为H，或者R1为CF3、R2为F、R3为H、R4为H和R5为H，或者R1为Cl、R2为F、R3为H、R4为H和R5为H时，则B不是或其药学上可接受的盐。
• OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160024007A1

  公开（公告）日：2016-01-28

  The present invention provides Octahydrocyclopentapyrrole compounds having the structure: (structurally represented) wherein psi is absent or present, and when present is a bond; R1, R2, R3, R4, and R5 are each independently H, halogen, CF, or C1-C4 alkyl; R6 is absent or present, and when present is H, OH, or halogen; A is absent or present, and when present is C(O) or C(O)NH; B is substituted or unsubstituted monocycle, bicycle, heteromonocycle, heterobicycle, benzyl, CO2H or (C1-C4 alkyl)-CO2H, wherein when B is CO2H, then A is present and is C(O); and when psi is present, then R6 is absent and when psi is absent, then R6 is present, or a pharmaceutically acceptable salt thereof, for treatment of diseases characterized by excessive lipofuscin accumulation in the retina.

  本发明提供了八氢环戊吡咯化合物，其结构如下：（结构式表示），其中psi不存在或存在，当存在时为键；R1、R2、R3、R4和R5各自独立地为H、卤素、CF或C1-C4烷基；R6不存在或存在，当存在时为H、OH或卤素；A不存在或存在，当存在时为C（O）或C（O）NH；B为取代或未取代的单环、双环、杂单环、杂双环、苄基、CO2H或（C1-C4烷基）-CO2H，其中当B为CO2H时，A存在且为C（O）；当psi存在时，R6不存在，当psi不存在时，R6存在，或其药学上可接受的盐，用于治疗以视网膜过多脂褐质沉积为特征的疾病。
• OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160046632A1

  公开（公告）日：2016-02-18

  The present invention provides compounds comprising variously substituted octahydropyrrolopyrroles, their synthesis, methods of making, methods of using, compositions and formulations thereof.

  本发明提供了包含各种取代的八氢吡咯吡咯化合物，它们的合成方法，制备方法，使用方法，以及它们的组成和配方。
• N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160046649A1

  公开（公告）日：2016-02-18

  The present invention provides a compound having the structure: (structurally represented) wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl; R6 is alkyl; A is absent or present, and when present is —C(O)— or —C(O)NH—; B is substituted or unsubstituted monocycle, bicycle, heteromonocycle, heterobicycle, benzyl, CO2H or (C1-C4 alkyl)-CO2H, wherein when B is CO2H, then A is present and is —C(O)—, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物：（结构表示）其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基；R6为烷基；A不存在或存在，当存在时为—C（O）—或—C（O）NH—；B为取代或未取代的单环、双环、杂单环、杂双环、苄基、CO2H或（C1-C4烷基）-CO2H，其中当B为CO2H时，A存在且为—C（O）—，或其药学上可接受的盐。
• Substituted 4-phenylpiperidines, their preparation and use
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US10407433B2

  公开（公告）日：2019-09-10

  The present invention provides a compound having the structure: wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl, wherein two or more of R1, R2, R3, R4, or R5 are other than H; R6 is H, OH, or halogen; and B is a substituted or unsubstituted heterobicycle, wherein when R1 is CF3, R2 is H, R3 is F, R4 is H, and R5 is H, or R1 is H, R2 is CF3, R3 is H, R4 is CF3, and R5 is H, or R1 is Cl, R2 is H, R3 is H, R4 is F, and R5 is H, or R1 is CF3, R2 is H, R3 is F, R4 is H, and R5 is H, or R1 is CF3, R2 is F, R3 is H, R4 is H, and R5 is H, or R1 is Cl, R2 is F, R3 is H, R4 is H, and R5 is H, then B is other than or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物： 其中 R1、R2、R3、R4 和 R5 各自独立地为 H、卤素、CF3 或 C1-C4 烷基、 其中 R1、R2、R3、R4 或 R5 中的两个或两个以上不是 H； R6 是 H、OH 或卤素；以及 B 是取代或未取代的杂环、 其中，当 R1 是 CF3、R2 是 H、R3 是 F、R4 是 H 和 R5 是 H 时，或 R1 是 H、R2 是 CF3、R3 是 H、R4 是 CF3 和 R5 是 H 时，或 R1 是 Cl、R2 是 H、R3 是 H、R4 是 F 和 R5 是 H、或 R1 是 CF3，R2 是 H，R3 是 F，R4 是 H，R5 是 H，或 R1 是 CF3，R2 是 F，R3 是 H，R4 是 H，R5 是 H，或 R1 是 Cl，R2 是 F，R3 是 H，R4 是 H，R5 是 H，则 B 不属于以下情况 或其药学上可接受的盐。