(3S,4S)-tert-butyl 3-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)-4-hydroxypyrrolidine-1-carboxylate (HCID 67259560)

基本情報

標準SMILES: CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CN(C(=O)OC(C)(C)C)C[C@@H]5O)ccn34)c12
InChIKey: JPOHWRSYOXOAQH-NSOVKSMOSA-N
分子式: C33H37N7O5
平均分子量: 611.7 g/mol

名称と識別子

優先名称: (3S,4S)-tert-butyl 3-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)-4-hydroxypyrrolidine-1-carboxylate
IUPAC: tert-butyl (3S,4S)-3-[3-[[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]oxy-4-hydroxypyrrolidine-1-carboxylate

名称と別名

SCHEMBL2047607JPOHWRSYOXOAQH-NSOVKSMOSA-N(3 S,4 S)-tert-butyl 3-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)-4-hydroxypyrrolidine-1-carboxylate(3S,4S)-tert-butyl 3-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)-4-hydroxypyrrolidine-1-carboxylate

データベース識別子

PubChem CID: 67259560

物性

構造計算による物性

XLogP: 4.5
極性表面積: 136 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: 9
重原子数: 45
形式電荷: 0
複雑度: 1,040

化合物ノート

読み込み中…