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[4-(1-adamantyl)-1-piperazinyl]-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID 5nzu1pVQ9a8
InChI InChI=1S/C29H32F3N5O2/c1-39-22-4-2-3-21(12-22)24-13-25(29(30,31)32)37-26(34-24)23(17-33-37)27(38)35-5-7-36(8-6-35)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-4,12-13,17-20H,5-11,14-16H2,1H3
InChIKey TUGRPPHGAPDVLQ-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C29H32F3N5O2
Exact Mass 539.25081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GXovBOKL2y
Name [4-(1-adamantyl)-1-piperazinyl]-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone [4-(1-adamantyl)piperazino]-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32F3N5O2
InChI InChI=1S/C29H32F3N5O2/c1-39-22-4-2-3-21(12-22)24-13-25(29(30,31)32)37-26(34-24)23(17-33-37)27(38)35-5-7-36(8-6-35)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-4,12-13,17-20H,5-11,14-16H2,1H3
InChIKey TUGRPPHGAPDVLQ-UHFFFAOYSA-N
Molecular Weight 539.603 g/mol
SMILES c12[n](C(C(F)(F)F)=CC(=N2)c2cc(OC)ccc2)ncc1C(N1CCN(C23CC4CC(C3)CC(C2)C4)CC1)=O
SPLASH splash10-000l-2911000000-2cf51a32110702a32a33
Wiley ID 1443486