EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114427 - 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

ChEBI IDCHEBI:114427
ChEBI Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Stars
DownloadsMolfile
FormulaC21H23BrF3N5O
Net Charge0
Average Mass498.347
Monoisotopic Mass497.10381
SMILESO=C(C1=CNN2C1=NC(c1ccc(Br)cc1)CC2C(F)(F)F)N1CCN2CCCC2C1
InChIInChI=1S/C21H23BrF3N5O/c22-14-5-3-13(4-6-14)17-10-18(21(23,24)25)30-19(27-17)16(11-26-30)20(31)29-9-8-28-7-1-2-15(28)12-29/h3-6,11,15,17-18,26H,1-2,7-10,12H2
InChIKeyHBWODEHDAGXJPE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone (CHEBI:114427) is a pyrazolopyrimidine (CHEBI:38669)
Manual XrefsDatabases
LSM-25888LINCS