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Pyrazolo[1,5-a]pyrimidine, 5-(4-fluorophenyl)-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-
SpectraBase Compound ID 158zUocqqb8
InChI InChI=1S/C28H29F4N5O/c29-21-3-1-20(2-4-21)23-12-24(28(30,31)32)37-25(34-23)22(16-33-37)26(38)35-5-7-36(8-6-35)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-4,12,16-19H,5-11,13-15H2
InChIKey JVOWXDFMJFASGC-UHFFFAOYSA-N
Mol Weight 527.57 g/mol
Molecular Formula C28H29F4N5O
Exact Mass 527.230823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImYxoR3xo2U
Name Pyrazolo[1,5-a]pyrimidine, 5-(4-fluorophenyl)-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-
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Formula C28H29F4N5O
InChI InChI=1S/C28H29F4N5O/c29-21-3-1-20(2-4-21)23-12-24(28(30,31)32)37-25(34-23)22(16-33-37)26(38)35-5-7-36(8-6-35)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-4,12,16-19H,5-11,13-15H2
InChIKey JVOWXDFMJFASGC-UHFFFAOYSA-N
Molecular Weight 527.568 g/mol
SMILES c12[n](C(C(F)(F)F)=CC(=N2)c2ccc(cc2)F)ncc1C(N1CCN(C23CC4CC(C3)CC(C2)C4)CC1)=O
SPLASH splash10-0a4r-9704000000-59452db9d2f3b98467e1
Source of Spectrum IY-1-4697-4
Synonyms [4-(1-adamantyl)-1-piperazinyl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
Wiley ID 1654957