(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-N3-methyl-4,5-dihydrobenzo[b]pyrazol o[1,5-d][1,4]oxazepine-2,3-dicarboxamide (HCID 86693335)

基本情報

標準SMILES: CNC(=O)c1c(C(N)=O)nn2c1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2
InChIKey: DRVIVEBNMGAZFS-NRFANRHFSA-N
分子式: C21H21N5O5
平均分子量: 423.4 g/mol

名称と識別子

優先名称: (R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-N3-methyl-4,5-dihydrobenzo[b]pyrazol o[1,5-d][1,4]oxazepine-2,3-dicarboxamide
IUPAC: 9-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-3-N-methyl-4,5-dihydropyrazolo[5,1-d][1,5]benzoxazepine-2,3-dicarboxamide

名称と別名

CHEMBL3700193SCHEMBL15192130DRVIVEBNMGAZFS-NRFANRHFSA-NBDBM159039US9034866, 514(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-N3-methyl-4,5-dihydrobenzo[b]pyrazol o[1,5-d][1,4]oxazepine-2,3-dicarboxamide(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-N3-methyl-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2,3-dicarboxamide

データベース識別子

PubChem CID: 86693335
ChEMBL: CHEMBL3700193

物性

構造計算による物性

XLogP: -0.4
極性表面積: 140 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 31
形式電荷: 0
複雑度: 837

化合物ノート

読み込み中…