6-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid | 1350807-06-5

• 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: 6-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
• CAS: 1350807-06-5
• 化学式: C₁₈H₁₉F₃N₄O₃
• 分子量: 396.369
• InChiKey: WDLBUHAYMKSCAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  88.3
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• MICROBIOCIDAL HETEROCYCLES
  申请人：Sulzer-Mosse Sarah

  公开号：US20120142698A1

  公开（公告）日：2012-06-07

  The present invention relates to heterocyclic compounds of formula I which have microbiocidal activity, in particular fungicidal activity as well as methods of using the compounds of formula (I) to control microbes: wherein A is x-C(R 10 R 11 )—C(═O)—, x-C(R 12 R 13 )—C(═S)—, x-O—C(═O)—, x-O—C(═S)—, x-N(R 14 )—C(═O)—, x-N(R 15 )—C(═S)—, x-C(R 16 R 17 )—SO 2 — or X—N═C(R 30 )—, in each case x indicates the bond that is connected to R 1 ; T is CR 18 or N; Y 1 , Y 2 , Y 3 , and Y 4 are independently CR 19 or N; Q is O or S; n is 1 or 2; p is 1 or 2, providing that when n is 2, p is 1. R 1 is phenyl, pyridyl, imidazolyl, or pyrazolyl; wherein the phenyl, pyridyl, imidazolyl and pyrazolyl are each optionally substituted by 1 to 3 substituents independently selected from C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, halogen, cyano, hydroxy and amino; R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 10 , R 11 , R 12 , R 13 , R 16 , R 17 , R 18 , R 19 and R 30 each independently are hydrogen, halogen, cyano, C 1 -C 4 alkyl, or C 1 -C 4 haloalkyl; R 8 , R 14 and R 15 each independently are hydrogen or C 1 -C 4 alkyl; and R 9 is phenyl, benzyl or group (a): wherein the phenyl, benzyl and group (a) are each optionally substituted with 1 to 3 substituents independently selected from C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, halogen, cyano, hydroxy and amino; or a salt or a N-oxide thereof.

  本发明涉及公式I的杂环化合物，其具有微生物杀菌活性，特别是真菌杀菌活性，以及使用公式（I）化合物控制微生物的方法：其中A是x-C（R10R11）—C（═O）—，x-C（R12R13）—C（═S）—，x-O—C（═O）—，x-O—C（═S）—，x-N（R14）—C（═O）—，x-N（R15）—C（═S）—，x-C（R16R17）—SO2—或X—N═C（R30）—，在每种情况下，x表示与R1相连的键；T是CR18或N；Y1、Y2、Y3和Y4分别是CR19或N；Q是O或S；n为1或2；p为1或2，前提是当n为2时，p为1。R1是苯基、吡啶基、咪唑基或吡唑基；其中苯基、吡啶基、咪唑基和吡唑基各自可以选择性地被1至3个取代基取代，所述取代基独立选择自C1-C4烷基、C1-C4卤代烷基、卤素、氰基、羟基和氨基；R2、R3、R4、R5、R6、R7、R10、R11、R12、R13、R16、R17、R18、R19和R30各自独立地是氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基；R8、R14和R15各自独立地是氢或C1-C4烷基；而R9是苯基、苄基或(a)基团：其中苯基、苄基和(a)基团各自可以选择性地被1至3个取代基取代，所述取代基独立选择自C1-C4烷基、C1-C4卤代烷基、卤素、氰基、羟基和氨基；或其盐或N-氧化物。
• US8367844B2
  申请人：——

  公开号：US8367844B2

  公开（公告）日：2013-02-05