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[4-(1-adamantyl)-1-piperazinyl]-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID JfmXllk6MTR
InChI InChI=1S/C28H30F3N5O/c29-28(30,31)24-13-22(21-4-2-1-3-5-21)32-25-14-23(33-36(24)25)26(37)34-6-8-35(9-7-34)27-15-18-10-19(16-27)12-20(11-18)17-27/h1-5,13-14,18-20H,6-12,15-17H2/t18-,19+,20-,27-
InChIKey CBVXDGRVVNIPGI-ACFKOILWSA-N
Mol Weight 509.58 g/mol
Molecular Formula C28H30F3N5O
Exact Mass 509.240245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 801LB2VRWSz
Name [4-(1-adamantyl)-1-piperazinyl]-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30F3N5O
InChI InChI=1S/C28H30F3N5O/c29-28(30,31)24-13-22(21-4-2-1-3-5-21)32-25-14-23(33-36(24)25)26(37)34-6-8-35(9-7-34)27-15-18-10-19(16-27)12-20(11-18)17-27/h1-5,13-14,18-20H,6-12,15-17H2/t18-,19+,20-,27-
InChIKey CBVXDGRVVNIPGI-ACFKOILWSA-N
Molecular Weight 509.577 g/mol
SMILES c1ccc(C2=Nc3[n](C(=C2)C(F)(F)F)nc(C(N2CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC2)=O)c3)cc1
SPLASH splash10-002u-3920000000-eb37f72117461c52956e
Synonyms [4-(1-adamantyl)piperazin-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazino]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Wiley ID 1443481