(6S)-3-{[2,2-difluoro-2-(1-oxido-3-pyridyl)ethyl]amino}-N-(2-fluorobenzyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide | 864950-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: (6S)-3-{[2,2-difluoro-2-(1-oxido-3-pyridyl)ethyl]amino}-N-(2-fluorobenzyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
• 英文别名: (6S)-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-3-yl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• CAS: 864950-39-0
• 化学式: C₂₂H₂₀F₃N₅O₃
• 分子量: 459.428
• InChiKey: XLZGVTWFFXRBEL-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  99.3
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds
  申请人：Nanteuil De Guillaume

  公开号：US20050209234A1

  公开（公告）日：2005-09-22

  Compound of formula (I): wherein: represents 1-oxidopyridyl substituted by the remainder of the molecule in any one of the positions 2, 3 and 4, m and n, which may be identical or different, each represent an integer of from 1 to 3, R 1 represents hydrogen or alkyl, R 2 and R 3 , which may be identical or different, each represent an atom or group selected from hydrogen, halogen, alkyl, hydroxy, acyloxy and alkoxy, or, together with the carbon atom carrying them, form a cycloalkane having from 3 to 6 carbon atoms, R 4 and R 5 each represent hydrogen, or are adjacent and, together with the carbon atoms carrying them, form a benzo ring, Ar represents aryl or heteroaryl. Medicinal products containing the same which are useful as thrombin inhibitors.

  化合物的化学式（I）：其中：表示在位置2、3和4中的任一位置上由分子的剩余部分取代的1-氧代吡啶基，m和n，可以相同也可以不同，每个表示1到3的整数，R1表示氢或烷基，R2和R3，可以相同也可以不同，每个表示从氢、卤素、烷基、羟基、酰氧基和烷氧基中选择的原子或基团，或者与携带它们的碳原子一起形成具有3到6个碳原子的环烷烃，R4和R5分别表示氢，或相邻且与携带它们的碳原子一起形成苯环，Ar表示芳基或杂芳基。含有这种化合物的药物，其作为凝血酶抑制剂具有用处。
• 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds
  申请人：De Nanteuil Guillaume

  公开号：US20090131668A1

  公开（公告）日：2009-05-21

  Compound of formula (I): wherein: represents 1-oxidopyridyl substituted by the remainder of the molecule in any one of the positions 2, 3 and 4, m and n, which may be identical or different, each represent an integer of from 1 to 3, R 1 represents hydrogen or alkyl, R 2 and R 3 , which may be identical or different, each represent an atom or group selected from hydrogen, halogen, alkyl, hydroxy, acyloxy and alkoxy, or, together with the carbon atom carrying them, form a cycloalkane having from 3 to 6 carbon atoms, R 4 and R 5 each represent hydrogen, or are adjacent and, together with the carbon atoms carrying them, form a benzo ring, Ar represents aryl or heteroaryl. Medicinal products containing the same which are useful as thrombin inhibitors.

  化合物的公式（I）：其中：表示在2、3和4位置中的分子余数取代的1-氧代吡啶基，m和n可以相同也可以不同，每个代表1到3的整数，R1代表氢或烷基，R2和R3可以相同也可以不同，每个代表氢、卤素、烷基、羟基、酰氧基和烷氧基中选择的原子或基团，或者与携带它们的碳原子一起形成具有3到6个碳原子的环烷烃，R4和R5分别代表氢，或者相邻并且与携带它们的碳原子一起形成苯环，Ar代表芳基或杂芳基。含有该化合物的药物作为凝血酶抑制剂有用。
• US7498330B2
  申请人：——

  公开号：US7498330B2

  公开（公告）日：2009-03-03