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[4-(1-adamantyl)-1-piperazinyl]-[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID ExuHM7qGmuA
InChI InChI=1S/C26H28ClF2N5OS/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,11-12,16-18H,3-6,8-10,13-15H2/t16-,17+,18-,25-
InChIKey UADHIWRARGSSJD-BLEMRMKPSA-N
Mol Weight 532.05 g/mol
Molecular Formula C26H28ClF2N5OS
Exact Mass 531.167116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRRQ8MD67Oh
Name [4-(1-adamantyl)-1-piperazinyl]-[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]methanone [4-(1-adamantyl)piperazino]-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
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Formula C26H28ClF2N5OS
InChI InChI=1S/C26H28ClF2N5OS/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,11-12,16-18H,3-6,8-10,13-15H2/t16-,17+,18-,25-
InChIKey UADHIWRARGSSJD-BLEMRMKPSA-N
Molecular Weight 532.054 g/mol
SMILES C1[C@]2(CC3(N4CCN(C(c5n[n]6C(=CC(c7sccc7)=Nc6c5)C(F)(F)Cl)=O)CC4)C[C@@](C[C@]1(C3)[H])(C2)[H])[H]
SPLASH splash10-002u-8911100000-2875ed6f9698cbe0bbf5
Wiley ID 1443661