(15S)-10-chloro-22-fluoro-15-(hydroxymethyl)-3,5,7,14,17,27-hexazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),21,23-nonaen-16-one | 919086-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: (15S)-10-chloro-22-fluoro-15-(hydroxymethyl)-3,5,7,14,17,27-hexazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),21,23-nonaen-16-one
• CAS: 919086-71-8
• 化学式: C₂₂H₂₂ClFN₆O₂
• 分子量: 456.907
• InChiKey: OHMUUOANWNJKLL-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• CYCLIC ANILINO - PYRIDINOTRIAZINES
  申请人：Rombouts Frederik Jan Rita

  公开号：US20100222574A1

  公开（公告）日：2010-09-02

  The present invention concerns the compounds of formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein m represents 1, n represents 1, Z represents N or C, in particular N; —X 1 — represents C 1-4 alkyl, in particular methyl; —X 2 — represents —C 1-4 alkyl- or —C 1-4 alkyl-NR 7 —, in particular propyl, -ethyl-NR 7 — or -propyl-NR 7 —; —Y— represents-NR 2 —C 1-6 alkyl-CO—NR 4 —, -Het 1 -C 1-6 alkyl-CO—NR 5 — or -Het 2 -CO—NR 6 — and wherein the —C 1-6 alkyl-linker of —NR 2 —C 1-6 alkyl-CO—NR 4 — or -Het 1 -C 1-6 alkyl-CO—NR 5 — is optionally substituted with one or where possible two or more substituents selected from hydroxy, halo and phenyl; R 1 represents hydrogen, chloro, fluoro or bromo; R 2 represents —C 1-4 alkyl-, in particular ethyl or methyl; R 7 represents hydrogen; R 8 represents hydrogen; R 4 , R 5 and R 6 represent hydrogen; Het 1 is selected from piperazinyl or piperidinyl, in particular -piperazinyl; Het 2 selected from pyrrolidinyl or piperidinyl, in particular pyrrolidinyl wherein said pyrrolidinyl is optionally substituted with hydroxy.
• US8778919B2
  申请人：——

  公开号：US8778919B2

  公开（公告）日：2014-07-15