Tert-butyl 4-(6-((5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
基本情報
- 標準SMILES
Cn1cc(Br)cc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1=O- InChIKey
DJOBFZNLMCSPMP-UHFFFAOYSA-N- 分子式
- C20H26BrN5O3
- 平均分子量
- 464.4 g/mol
名称と識別子
- 優先名称
- Tert-butyl 4-(6-((5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]piperazine-1-carboxylate
名称と別名
1346674-57-4tert-butyl 4-(6-((5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino)pyridin-3-yl)piperazine-1-carboxylatetert-butyl 4-[6-[(5-bromo-1-methyl-2-oxopyridin-3-yl)amino]pyridin-3-yl]piperazine-1-carboxylatetert-Butyl4-(6-((5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino)pyridin-3-yl)piperazine-1-carboxylateSCHEMBL10256044DJOBFZNLMCSPMP-UHFFFAOYSA-NDB-110422Tert-Butyl 4-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yl)piperazine-1-carboxylatetert-Butyl 4-(6-(5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridine-3-yl)piperazine-1-carboxylate
データベース識別子
- PubChem CID
- 58043929
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 78 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 695
関連反応
33 件
化合物ノート
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