基本情報
- 標準SMILES
CN1CCN(c2ccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)nc2)CC1- InChIKey
KJMUUSJOPAKDQL-UHFFFAOYSA-N- 分子式
- C22H32BN5O3
- 平均分子量
- 425.3 g/mol
名称と識別子
- 優先名称
- 1-methyl-3-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
- IUPAC
- 1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
名称と別名
1242156-62-21-methyl-3-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1-methyl-3-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one2(1H)-Pyridinone, 1-methyl-3-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-starbld0018569SCHEMBL1725566SCHEMBL29741963C22H32BN5O3KJMUUSJOPAKDQL-UHFFFAOYSA-NCS-M3137MFCD28992274AKOS027421152
名称をさらに表示
1-methyl-3-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-oneCS-14901DA-46807(1-Methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridin-3-yl)boronic acid pinacol ester, 97%1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one1-methyl-3-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-1H-pyridin-2-one
データベース識別子
- PubChem CID
- 58043764
物性
構造計算による物性
- 極性表面積
- 70.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 744
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