CHEBI:107882 - [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
ChEBI ID CHEBI:107882
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H14BrF3N4OS
Net Charge 0
Average Mass 507.328
Monoisotopic Mass 506.00238
InChI InChI=1S/C21H14BrF3N4OS/c22-17-18(20(30)28-9-3-6-12-5-1-2-7-14(12)28)27-29-16(21(23,24)25)11-13(26-19(17)29)15-8-4-10-31-15/h1-2,4-5,7-8,10-11H,3,6,9H2
InChIKey NDSCASPUZDGXFQ-UHFFFAOYSA-N
SMILES C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CS5)C(F)(F)F
ChEBI Ontology
Outgoing [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CHEBI:107882) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-19259 LINCS
View more database links