2-(4-(5-(1,2,4-triazin-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(hydroxymethyl)pyridin-2-yl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one (HCID 89539732)

基本情報

標準SMILES: Cn1cc(-c2ccnc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2nccnn2)c1=O
InChIKey: MDSBZLBDFLQVKN-UHFFFAOYSA-N
分子式: C26H26N8O3
平均分子量: 498.5 g/mol

名称と識別子

優先名称: 2-(4-(5-(1,2,4-triazin-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(hydroxymethyl)pyridin-2-yl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
IUPAC: 2-[3-(hydroxymethyl)-4-[1-methyl-6-oxo-5-(1,2,4-triazin-3-ylamino)-3-pyridinyl]-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one

名称と別名

SCHEMBL14912837SCHEMBL29742103MDSBZLBDFLQVKN-UHFFFAOYSA-N2-(4-(5-(1,2,4-triazin-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(hydroxymethyl)pyridin-2-yl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one

データベース識別子

PubChem CID: 89539732

物性

構造計算による物性

XLogP: 0.3
極性表面積: 129 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 37
形式電荷: 0
複雑度: 956

化合物ノート

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