N-cyclopentyl-3-oxo-2-(thiophen-2-ylmethyl)-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-cyclopentyl-3-oxo-2-(thiophen-2-ylmethyl)-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
• 化学式: C₁₈H₂₁N₃O₂S
• 分子量: 343.45
• InChiKey: SZIVDVHKTLCJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• ANNELATED CARBAMOYLASE-HETEROCYCLES, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF
  申请人："Chemical diversity Research Institute", Ltd.

  公开号：EP1746100A1

  公开（公告）日：2007-01-24

  This invention relates to novel annellated carbamyl-aza-heterocyclic compounds that are potential physiologically active compounds (agonists, antagonists, and receptor modulators, enzyme inhibitors, oncolytics, antibacterial and antiparasitic agents, and so on), to a focused library comprising annellated carbamyl-aza-heterocyclic compounds, a pharmaceutical composition comprising annellated carbamyl-aza-heterocyclic compounds as the active ingredient, and to methods of producing and using the same. The invention relates to annellated carbamyl-aza-heterocyclic compounds of general formula 1: wherein: W is 6-oxopiperazine, [1,4]diazepan, [1,4]thiazepan or [1,4]oxazepan compound annellated to at least one optionally substituted and optionally condensed heterocyclic compound Q; R1, R2 and R3 are, independently of one another, a hydrogen atom, an inert substituent, an optionally substituted C1-C6 alkyl, an optionally substituted C3-C8 cycloalkyl, an optionally substituted phenyl, an optionally substituted aryl, or an optionally substituted heterocyclyl; and Q is a pyrrole, pyrazole, imidazole, thiazole, pyrrolidine, indole, benzofuran, 4,5,6,7-tetrahydrobenzothiophene, thieno[3,2-b]pyrrole, furo[3,2-b]pyrrole, thieno[2,3-b]pyrrole, benzimidazole, pyridine, quinoline, or 1,2,3,4-tetrahydroisoquinoline cyclic compound.

  本发明涉及新型的环化碳酰胺-氮杂杂环化合物，这些化合物是潜在的生理活性化合物（激动剂、拮抗剂和受体调节剂、酶抑制剂、抗肿瘤剂、抗菌和抗寄生虫剂等），还涉及一种包括环化碳酰胺-氮杂杂环化合物的焦点库、一种包括环化碳酰胺-氮杂杂环化合物作为活性成分的制药组合物，以及制备和使用这些化合物的方法。本发明涉及一般式1的环化碳酰胺-氮杂杂环化合物：其中：W是6-氧代哌嗪、[1,4]二氮杂环、[1,4]硫杂环或[1,4]噁唑杂环化合物，环化到至少一个可选取代和可选缩合的杂环化合物Q；R1、R2和R3独立地是氢原子、惰性取代基、可选取代的C1-C6烷基、可选取代的C3-C8环烷基、可选取代的苯基、可选取代的芳基或可选取代的杂环基；Q是吡咯、吡唑、咪唑、噻唑、吡咯烷、吲哚、苯并呋喃、4,5,6,7-四氢苯并噻吩、噻吩[3,2-b]吡咯、呋吒[3,2-b]吡咯、噻吩[2,3-b]吡咯、苯并咪唑、吡啶、喹啉或1,2,3,4-四氢异喹啉环化合物。
• Annellated carbamyl-aza-heterocyclic compounds, a focused library, pharmaceutical compositions, and methods of preparing the same
  申请人：Ivashchenko Alexander

  公开号：US20070191337A1

  公开（公告）日：2007-08-16

  This invention relates to novel annellated carbamyl-aza-heterocyclic compounds that are potential physiologically active compounds (agonists, antagonists, and receptor modulators, enzyme inhibitors, oncolytics, antibacterial and antiparasitic agents, and so on), to a focused library comprising annellated carbamyl-aza-heterocyclic compounds, a pharmaceutical composition comprising annellated carbamyl-aza-heterocyclic compounds as the active ingredient, and to methods of producing and using the same. The invention relates to annellated carbamyl-aza-heterocyclic compounds of general formula 1: wherein: W is 6-oxopiperazine, [1,4]diazepan, [1,4]thiazepan or [1,4]oxazepan compound annellated to at least one optionally substituted and optionally condensed heterocyclic compound Q; R 1 , R 2 and R 3 are, independently of one another, a hydrogen atom, an inert substituent, an optionally substituted C 1 -C 6 alkyl, an optionally substituted C 3 -C 8 cycloalkyl, an optionally substituted phenyl, an optionally substituted aryl, or an optionally substituted heterocyclyl; and Q is a pyrrole, pyrazole, imidazole, thiazole, pyrrolidine, indole, benzofuran, 4,5,6,7-tetrahydrobenzothiophene, thieno[3,2-b]pyrrole, furo[3,2-b]pyrrole, thieno[2,3-b]pyrrole, benzimidazole, pyridine, quinoline, or 1,2,3,4-tetrahydroisoquinoline cyclic compound.