[3-(2-Chloro-4-methyl-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine | 242129-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [3-(2-Chloro-4-methyl-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine
• CAS: 242129-10-8
• 化学式: C₂₁H₂₅ClN₄
• 分子量: 368.909
• InChiKey: VURPGEQOKHZPPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.52
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.81
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [3-(2-Chloro-4-methyl-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [3-(2-Chloro-4-methyl-phenyl)-2-ethyl-5-methyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine 、 [3-(2-Chloro-4-methyl-phenyl)-1-ethyl-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine
  参考文献：
  名称：

  Synthesis of 3-phenylpyrazolo[4,3-b]pyridines via a convenient synthesis of 4-amino-3-arylpyrazoles and SAR of corticotropin-Releasing factor receptor type-1 antagonists

  摘要：

  3-Phenylpyrazolo[4,3-b]pyridines were synthesized via a cyclization of 4-amino-3-phenylpyrazoles 11-13 with ethyl acetoacetate. These compounds were found to be potent CRF1 antagonists. The 2-alkylpyrazolo[4,3-b]pyridines were more polar but less active than the corresponding 1-alkyl-isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00621-8
• 作为产物：
  描述：

  2-[3-(2-Chloro-4-methyl-phenyl)-1H-pyrazol-4-yl]-isoindole-1,3-dione 在 2-甲基苯磺酸 、 肼 、 三氯氧磷 作用下， 以 二苯醚 、 乙醇 、 苯 为溶剂， 生成 [3-(2-Chloro-4-methyl-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-cyclopropylmethyl-propyl-amine
  参考文献：
  名称：

  Synthesis of 3-phenylpyrazolo[4,3-b]pyridines via a convenient synthesis of 4-amino-3-arylpyrazoles and SAR of corticotropin-Releasing factor receptor type-1 antagonists

  摘要：

  3-Phenylpyrazolo[4,3-b]pyridines were synthesized via a cyclization of 4-amino-3-phenylpyrazoles 11-13 with ethyl acetoacetate. These compounds were found to be potent CRF1 antagonists. The 2-alkylpyrazolo[4,3-b]pyridines were more polar but less active than the corresponding 1-alkyl-isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00621-8