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[4-(1-adamantyl)-1-piperazinyl]-[5-(4-chlorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID JsGnE2MuCiH
InChI InChI=1S/C28H29ClF3N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,12-13,17-19H,5-11,14-16H2/t17-,18+,19-,27-
InChIKey VVUUXOXRIDCWDM-VGVMWRDJSA-N
Mol Weight 544.02 g/mol
Molecular Formula C28H29ClF3N5O
Exact Mass 543.201273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdoRMNOvJSl
Name [4-(1-adamantyl)-1-piperazinyl]-[5-(4-chlorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29ClF3N5O
InChI InChI=1S/C28H29ClF3N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,12-13,17-19H,5-11,14-16H2/t17-,18+,19-,27-
InChIKey VVUUXOXRIDCWDM-VGVMWRDJSA-N
Molecular Weight 544.022 g/mol
SMILES c1c(Cl)ccc(C=2C=C([n]3c(cc(n3)C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)=O)N2)C(F)(F)F)c1
SPLASH splash10-002u-3911000000-f189448f0fa4efe99726
Synonyms [4-(1-adamantyl)piperazin-1-yl]-[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazino]-[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Wiley ID 1443485