5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-YL-ethyl)-amide (HCID 49823346)

基本情報

標準SMILES: Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21
InChIKey: VZVRWQGDDKSERZ-UHFFFAOYSA-N
分子式: C26H27ClFN7O3
平均分子量: 540 g/mol

名称と識別子

優先名称: 5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-YL-ethyl)-amide
IUPAC: 5-[[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

名称と別名

VZVRWQGDDKSERZ-UHFFFAOYSA-N5-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-6-OXO-6,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-5-YLIDENEMETHYL] -4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE5-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-6-OXO-6,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-5-YLIDENEMETHYL]-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE

データベース識別子

PubChem CID: 49823346

物性

構造計算による物性

XLogP: 2.8
極性表面積: 115 Å²
水素結合供与体数: 3
水素結合受容体数: 8
回転可能結合数: 7
重原子数: 38
形式電荷: 0
複雑度: 891

化合物ノート

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