N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (HCID 90204082)

基本情報

標準SMILES: Cc1nc(C(C)(CC2CC2)NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3(F)COC3)cn2)no1
InChIKey: KRIDTILPJXPYLF-IFGYVTRGSA-N
分子式: C21H24F4N4O4
平均分子量: 472.4 g/mol

名称と識別子

優先名称: N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
IUPAC: N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

名称と別名

N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamideCHEMBL3896366SCHEMBL15776876BDBM240427US9409866, 142US9409866, 170US9409866, 171

データベース識別子

PubChem CID: 90204082
ChEMBL: CHEMBL3896366

物性

構造計算による物性

XLogP: 3.4
極性表面積: 99.4 Å²
水素結合供与体数: 1
水素結合受容体数: 11
回転可能結合数: 8
重原子数: 33
形式電荷: 0
複雑度: 721

化合物ノート

読み込み中…