N-[5-(2,3-difluorophenyl)-1-methyl-2-oxopyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide | 1011532-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-[5-(2,3-difluorophenyl)-1-methyl-2-oxopyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• CAS: 1011532-74-3
• 化学式: C₂₄H₂₂F₂N₆O₃
• 分子量: 480.474
• InChiKey: OJFXKQROKKJNQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide 、 2,3-二氟苯硼酸 在 palladium diacetate 二异丙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[5-(2,3-difluorophenyl)-1-methyl-2-oxopyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
  参考文献：
  名称：

  Calcitonin gene-related peptide (CGRP) receptor antagonists: Investigations of a pyridinone template

  摘要：

  In our effort to find potent, orally bioavailable CGRP receptor antagonists for the treatment of migraine, a novel series based on a pyridinone template was investigated. After optimizing the privileged structure and the placement of the attached phenyl ring, systematic SAR was carried out on both the N-alkyl and C-5 aryl substituents. Several analogs with good potency and pharmacokinetic profiles were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.042

文献信息

• Calcitonin gene-related peptide (CGRP) receptor antagonists: Investigations of a pyridinone template
  作者：Diem N. Nguyen、Daniel V. Paone、Anthony W. Shaw、Christopher S. Burgey、Scott D. Mosser、Victor Johnston、Christopher A. Salvatore、Yvonne M. Leonard、Cynthia M. Miller-Stein、Stefanie A. Kane、Kenneth S. Koblan、Joseph P. Vacca、Samuel L. Graham、Theresa M. Williams

  DOI：10.1016/j.bmcl.2007.11.042

  日期：2008.1

  In our effort to find potent, orally bioavailable CGRP receptor antagonists for the treatment of migraine, a novel series based on a pyridinone template was investigated. After optimizing the privileged structure and the placement of the attached phenyl ring, systematic SAR was carried out on both the N-alkyl and C-5 aryl substituents. Several analogs with good potency and pharmacokinetic profiles were identified. (c) 2007 Elsevier Ltd. All rights reserved.