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Pyrazolo[1,5-a]pyrimidine, 7-(difluoromethyl)-5-phenyl-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-
SpectraBase Compound ID Ea9F8uucWlr
InChI InChI=1S/C28H31F2N5O/c29-25(30)24-13-23(21-4-2-1-3-5-21)32-26-22(17-31-35(24)26)27(36)33-6-8-34(9-7-33)28-14-18-10-19(15-28)12-20(11-18)16-28/h1-5,13,17-20,25H,6-12,14-16H2/t18-,19+,20-,28-
InChIKey SNQPFPZWZVSMGP-SEAGLFGOSA-N
Mol Weight 491.59 g/mol
Molecular Formula C28H31F2N5O
Exact Mass 491.249667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L52y60zBp94
Name Pyrazolo[1,5-a]pyrimidine, 7-(difluoromethyl)-5-phenyl-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-
Alternate Name(s) [4-(1-adamantyl)-1-piperazinyl]-[7-(difluoromethyl)-5-phenyl-3-pyrazolo[1,5-a]pyrimidinyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-(difluoromethyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-[bis(fluoranyl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl]methanone
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Formula C28H31F2N5O
InChI InChI=1S/C28H31F2N5O/c29-25(30)24-13-23(21-4-2-1-3-5-21)32-26-22(17-31-35(24)26)27(36)33-6-8-34(9-7-33)28-14-18-10-19(15-28)12-20(11-18)16-28/h1-5,13,17-20,25H,6-12,14-16H2/t18-,19+,20-,28-
InChIKey SNQPFPZWZVSMGP-SEAGLFGOSA-N
Molecular Weight 491.587 g/mol
SMILES c12[n](C(C(F)F)=CC(=N2)c2ccccc2)ncc1C(N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)=O
SPLASH splash10-009l-5940000000-50dc5dd39c68d6818d64
Source of Spectrum IY-1-4690-4
Wiley ID 1654887