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[4-(1-adamantyl)-1-piperazinyl]-[3-chloro-5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID C1Sc3LmURd2
InChI InChI=1S/C26H27ClF3N5O2/c27-21-22(32-35-20(26(28,29)30)11-18(31-23(21)35)19-2-1-7-37-19)24(36)33-3-5-34(6-4-33)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-2,7,11,15-17H,3-6,8-10,12-14H2/t15-,16+,17-,25-
InChIKey JOTRDKSLKYGTNC-CIRRPZLZSA-N
Mol Weight 533.98 g/mol
Molecular Formula C26H27ClF3N5O2
Exact Mass 533.180537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQ5tIoGFrkk
Name [4-(1-adamantyl)-1-piperazinyl]-[3-chloro-5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-[3-chloranyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[3-chloro-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazino]-[3-chloro-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
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Formula C26H27ClF3N5O2
InChI InChI=1S/C26H27ClF3N5O2/c27-21-22(32-35-20(26(28,29)30)11-18(31-23(21)35)19-2-1-7-37-19)24(36)33-3-5-34(6-4-33)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-2,7,11,15-17H,3-6,8-10,12-14H2/t15-,16+,17-,25-
InChIKey JOTRDKSLKYGTNC-CIRRPZLZSA-N
Molecular Weight 533.983 g/mol
SMILES c12[n](C(C(F)(F)F)=CC(=N2)c2occc2)nc(c1Cl)C(N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)=O
SPLASH splash10-000i-4911000000-23d95a90527d5107c3b6
Wiley ID 1443482