4-[6-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-3-vinyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester (HCID 86678175)

基本情報

標準SMILES: C=Cc1nn(C2CCCCO2)c2nc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIKey: LLYVKTZFMZLOON-UHFFFAOYSA-N
分子式: C35H49N5O5Si
平均分子量: 647.9 g/mol

名称と識別子

優先名称: 4-[6-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-3-vinyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-ethenyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

名称と別名

SCHEMBL14759972LLYVKTZFMZLOON-UHFFFAOYSA-N4-[6-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-1-(tetrahydro-pyran-2-yl)-3-vinyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester

データベース識別子

PubChem CID: 86678175

物性

構造計算による物性

極性表面積: 99 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 9
重原子数: 46
形式電荷: 0
複雑度: 1,080

化合物ノート

読み込み中…