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Pyrazolo[1,5-a]pyrimidine, 7-(difluoromethyl)-5-(2-methoxyphenyl)-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-
SpectraBase Compound ID BS1stMK9Hhh
InChI InChI=1S/C29H33F2N5O2/c1-38-25-5-3-2-4-21(25)23-13-24(26(30)31)36-27(33-23)22(17-32-36)28(37)34-6-8-35(9-7-34)29-14-18-10-19(15-29)12-20(11-18)16-29/h2-5,13,17-20,26H,6-12,14-16H2,1H3
InChIKey ZMVGUKLTBJBBJZ-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H33F2N5O2
Exact Mass 521.260232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BBM4XuuEPi
Name Pyrazolo[1,5-a]pyrimidine, 7-(difluoromethyl)-5-(2-methoxyphenyl)-3-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-
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Formula C29H33F2N5O2
InChI InChI=1S/C29H33F2N5O2/c1-38-25-5-3-2-4-21(25)23-13-24(26(30)31)36-27(33-23)22(17-32-36)28(37)34-6-8-35(9-7-34)29-14-18-10-19(15-29)12-20(11-18)16-29/h2-5,13,17-20,26H,6-12,14-16H2,1H3
InChIKey ZMVGUKLTBJBBJZ-UHFFFAOYSA-N
Molecular Weight 521.613 g/mol
SMILES c12[n](C(C(F)F)=CC(=N2)c2c(OC)cccc2)ncc1C(N1CCN(C23CC4CC(C3)CC(C2)C4)CC1)=O
SPLASH splash10-0udu-6905000000-3a77939a855539837340
Source of Spectrum IY-1-4697-6
Synonyms [4-(1-adamantyl)-1-piperazinyl]-[7-(difluoromethyl)-5-(2-methoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-[bis(fluoranyl)methyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
Wiley ID 1654959