N-[2-fluoro-5-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-Pyrazole-5-carboxamide

HCID 56965895CAS 319460-94-1

基本情報

標準SMILES: Cc1cc(C(=O)Nc2cc(Nc3ccc4c(C=Cc5ccccn5)n[nH]c4c3)ccc2F)n(C)n1
InChIKey: JXSVVZKPEDIRTN-UHFFFAOYSA-N
分子式: C26H22FN7O
平均分子量: 467.5 g/mol
単同位体質量: 467.18698654

名称と識別子

優先名称: N-[2-fluoro-5-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-Pyrazole-5-carboxamide
IUPAC: N-[2-fluoro-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide

名称と別名

913966-92-4SCHEMBL6491425DTXSID20953842HMS3244C17HMS3244C18HMS3244D17s2211N-[2-FLUORO-5-({3-[(E)-2-(PYRIDIN-2-YL)VINYL]-1H-INDAZOL-6-YL}AMINO)PHENYL]-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDEN-[2-fluoro-5-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-Pyrazole-5-carboxamideDB-079007N-[2-Fluoro-5-({3-[2-(pyridin-2-yl)ethen-1-yl]-2H-indazol-6-yl}amino)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamideN-[2-Fluoro-5-({3-[2-(pyridin-2-yl)ethenyl]-2H-indazol-6-yl}amino)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

データベース識別子

CAS: 319460-94-1
PubChem CID: 56965895
DTXSID: DTXSID20953842

物性

構造計算による物性

XLogP: 4.3
極性表面積: 101 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: 6
重原子数: 35
形式電荷: 0
複雑度: 753