AC1NYXDK structure

AC1NYXDK

[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Also Known As: AK-968/15360643|2-{[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline|(5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone|[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone|[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone|[5-(4-BROMOPHENYL)-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-3-YL][3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]METHANONE

CAS: 445289-28-1
Molecular Formula C23H20BrF3N4O
Molecular Weight 504.07727 g/mol
LogP 5.5044
Topological Polar Surface Area 50.16 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 504.07727
Monoisotopic Mass 504.07727
Heavy Atoms 32
Complexity 1158.7933

Chemical Identifiers

CAS Number 445289-28-1
SMILES C1CN(CC2=CC=CC=C21)C(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br

Product Overview

AC1NYXDK (CAS 445289-28-1), with molecular formula C23H20BrF3N4O and molecular weight 504.07727 g/mol. IUPAC: [5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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