3-[3-(1-ETHYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENYL]-1-[4-(TRIFLUOROMETHYL)PHENYL]UREA

CAS号
405554-55-4 ;945865-05-4
CCD编号
CCD04334210
分子式
C26 H21 F3 N6 O
分子量
490.487

基本信息

产品名称: 3-[3-(1-ETHYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENYL]-1-[4-(TRIFLUOROMETHYL)PHENYL]UREA
CAS: 405554-55-4 ;945865-05-4
英文同义词: 5-[2-[4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL]-5-(4-PYRIDINYL)-1H-IMIDAZOL-4-YL]-2,3-DIHYDRO-1H-INDEN-1-ONE OXIME ; 3-[3-(1-ETHYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENYL]-1-[4-(TRIFLUOROMETHYL)PHENYL]UREA
MDL号: MFCD18633279
氢键受体数量: 7
氢键供体数量: 3
Smile: CCn1cc(c(n1)c2cccc(c2)NC(=O)Nc3ccc(cc3)C(F)(F)F)c4ccnc5c4cc[nH]5
InChi: InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36)
InChiKey: InChIKey=XMVDDSSINBJQNA-UHFFFAOYSA-N

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