N-(4-Pyridyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamide | 168272-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(4-Pyridyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamide
• 英文别名: 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
• CAS: 168272-16-0
• 化学式: C₁₄H₁₃N₃O₂
• 分子量: 255.276
• InChiKey: LCWVLEUWDWLYKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  74.8
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS<br/>[FR] HETEROAROMATIQUES CONTENANT DE L'AZOTE, PRESENTANT DES GROUPES P1 A SUBSTITUTION ORTHO, ET UTILISES EN TANT QU'INHIBITEURS DU FACTEUR XA
  申请人：DU PONT PHARM CO

  公开号：WO1999032454A1

  公开（公告）日：1999-07-01

  The present application describes nitrogen containing heteroaromatics with ortho-substituted P1's and derivatives thereof of Formula (I) or pharmaceutically acceptable salt or prodrug forms thereof, wherein J is N or NH and D is substituted ortho to G on E and may be CH2NH2, which are useful as inhibitors of factor Xa.

  本申请描述了具有含氮杂环的P1正交取代基和其衍生物的公式(I)或其药学上可接受的盐或前药形式，其中J为N或NH，D在E上的G的正交取代基处被取代，可以是CH2NH2，这些化合物可用作凝血因子Xa的抑制剂。
• Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands
  申请人：NEUROGEN CORPORATION

  公开号：EP0825193A1

  公开（公告）日：1998-02-25

  The present invention encompasses structures of the formula (I) and the pharmaceutically acceptable non-toxic salts thereof wherein T is halogen, hydrogen, hydroxyl, amino or straight or branched chain lower alkoxy having 1-6 carbon atoms; X is hydrogen, hydroxyl or straight or branched chain lower alkyl having 1-6 carbon atoms; W is phenyl substituted with a 3,4-methylenedioxy, 3,4-ethylenedioxy, or 3,4-isopropylidenedioxy group, or a 2-naphthyridinyl group which may be substituted with halogen; and represents wherein Y represents nitrogen or C-R4; Z represents N-R7 or a carbon atom substituted with R8 and R9, i.e., C(R8)(R9); n is 1, 2, 3, or 4; R3 is hydrogen, phenyl, 2, 3 or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3 or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; R4 is halogen or trifluoromethyl; or -OR10, - COR10, -CO2R10, -OCOR10, or -R10, where R10 is hydrogen, phenyl, 2, 3 or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3 or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; or -CONR11R12 or -(CH2)mNR11R12, where m is 0, 1, or 2; R11 represents hydrogen, straight or branched chain lower alkyl having 1-6 carbon atoms; and R12 is hydrogen, phenyl, 2, 3 or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3 or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; or NR11R12 forms a heterocyclic group which is morpholyl, piperidyl, pyrrolidyl, or N-alkyl piperazyl; R5 and R6 are the same or different and represent hydrogen, halogen, straight or branched chain lower alkyl having 1-6 carbon atoms, or straight or branched chain lower alkoxy having 1-6 carbon atoms; R7 is hydrogen, phenyl, 2, 3 or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3 or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; R8 is hydrogen or straight or branched chain lower alkyl having 1-6 carbon atoms; and R9 is -COR13, -CO2R13 or -R13, where R13 is hydrogen, phenyl, 2, 3 or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3, or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; or - CONR14R15 or - (CH2)kNR14R15, where k is 0, 1, or 2; R14 represents hydrogen, straight or branched chain lower alkyl having 1-6 carbon atoms; and R15 is hydrogen, phenyl, 2, 3, or 4-pyridyl, straight or branched chain lower alkyl having 1-6 carbon atoms, or phenylalkyl or 2, 3 or 4-pyridylalkyl where each alkyl is straight or branched chain lower alkyl having 1-6 carbon atoms; or NR14R15 forms a heterocyclic group which is morpholyl, piperidyl, pyrrolidyl, or N-alkyl piperazyl; or (b) T and X are as defined above; W is phenyl, 2 or 3-thienyl, 2, 3, or 4-pyridyl or 6-quinolinyl, each of which may be mono or disubstituted with halogen, cyano, hydroxy, straight or branched chain lower alkyl having 1-6 carbon atoms, amino, mono or dialkylamino where each alkyl is independently straight or branched chain lower alkyl having 1-6 carbon atoms, straight or branched chain lower alkoxy having 1-6 carbon atoms, or NR1COR2, COR2, CONR1R2 where R1 and R2 are the same or different and represent hydrogen or straight or branched chain lower alkyl having 1-6 carbon atoms; and represents or a compound of the formula:

  本发明包括式 (I) 结构及其可接受的无毒盐 及其药学上可接受的无毒盐 其中 T 是卤素、氢、羟基、氨基或具有 1-6 个碳原子的直链或支链低级烷氧基；X 是氢、羟基或具有 1-6 个碳原子的直链或支链低级烷基；W 是被 3,4-亚甲二氧基、3,4-亚乙二氧基或 3,4-异亚丙基二氧基取代的苯基，或可被卤素取代的 2-萘啶基团；以及 代表 其中 Y 代表氮或 C-R4； Z 代表 N-R7 或被 R8 和 R9 取代的碳原子，即C(R8)(R9)；n 是 1、2、3 或 4；R3 是氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基、或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基是具有 1-6 个碳原子的直链或支链低级烷基；R4 是卤素或三氟甲基；或-OR10、-COR10、-CO2R10、-OCOR10 或-R10，其中 R10 是氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基是具有 1-6 个碳原子的直链或支链低级烷基；或 -CONR11R12 或 -(CH2)mNR11R12，其中 m 为 0、1 或 2；R11 代表氢、具有 1-6 个碳原子的直链或支链低级烷基；而 R12 是氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基、或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基是具有 1-6 个碳原子的直链或支链低级烷基；或 NR11R12 形成一个杂环基团，该杂环基团是吗啉基、哌啶基、吡咯烷基或 N-烷基哌嗪基；R5 和 R6 相同或不同，代表氢、卤素、具有 1-6 个碳原子的直链或支链低级烷基，或具有 1-6 个碳原子的直链或支链低级烷氧基；R7 是氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基，或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基都是具有 1-6 个碳原子的直链或支链低级烷基；R8 是氢或具有 1-6 个碳原子的直链或支链低级烷基；以及 R9 是-COR13、-CO2R13 或-R13，其中 R13 是氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基是具有 1-6 个碳原子的直链或支链低级烷基；或-CONR14R15 或-( )kNR14R15，其中 k 为 0、1 或 2；R14 代表氢、具有 1-6 个碳原子的直链或支链低级烷基；R15 代表氢、苯基、2、3 或 4-吡啶基、具有 1-6 个碳原子的直链或支链低级烷基或苯基烷基或 2、3 或 4-吡啶基烷基，其中每个烷基都是具有 1-6 个碳原子的直链或支链低级烷基；或 NR14R15 形成一个杂环基团，该杂环基团为吗啉基、哌啶基、吡咯烷基或 N-烷基哌嗪基；或 (b) T 和 X 如上文所定义；W 是苯基、2 或 3-噻吩基、2、3 或 4-吡啶基或 6-喹啉基，其中每个基团可被卤素、氰基、羟基、具有 1-6 个碳原子的直链或支链低级烷基、氨基、单烷基氨基或二烷基氨基单取代或二取代，其中每个烷基独立地为具有 1-6 个碳原子的直链或支链低级烷基、具有 1-6 个碳原子的直链或支链低级烷氧基，或 NR1COR2、COR2、CONR1R2，其中 R1 和 R2 相同或不同，代表氢或具有 1-6 个碳原子的直链或支链低级烷基；和 代表 或以下式子的化合物
• CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS
  申请人：NEUROGEN CORPORATION

  公开号：EP0725775B1

  公开（公告）日：1998-07-22
• DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS
  申请人：Du Pont Pharmaceuticals Company

  公开号：EP1064270A2

  公开（公告）日：2001-01-03
• NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS
  申请人：Du Pont Pharmaceuticals Company

  公开号：EP1042299A1

  公开（公告）日：2000-10-11