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(2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-pyridin-4-yl-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furan-3,4-diol

View entire compound with spectra: 1 MS (GC)

(2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-pyridin-4-yl-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furan-3,4-diol
SpectraBase Compound ID 7vBmjwSmmDq
InChI InChI=1S/C17H15F3N4O4/c18-17(19,20)10-5-11(8-1-3-21-4-2-8)23-15-9(10)6-22-24(15)16-14(27)13(26)12(7-25)28-16/h1-6,12-14,16,25-27H,7H2/t12-,13-,14-,16-/m1/s1
InChIKey VBUYQCFUDIBZGL-IXYNUQLISA-N
Mol Weight 396.33 g/mol
Molecular Formula C17H15F3N4O4
Exact Mass 396.104539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lPB0oFYIq
Name (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-pyridin-4-yl-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furan-3,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F3N4O4
InChI InChI=1S/C17H15F3N4O4/c18-17(19,20)10-5-11(8-1-3-21-4-2-8)23-15-9(10)6-22-24(15)16-14(27)13(26)12(7-25)28-16/h1-6,12-14,16,25-27H,7H2/t12-,13-,14-,16-/m1/s1
InChIKey VBUYQCFUDIBZGL-IXYNUQLISA-N
Molecular Weight 396.326 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(C(F)(F)F)cc(n2)-c2ccncc2)cn1)[H])(CO)[H])[H]
SPLASH splash10-056s-1429000000-272ea163a8f83c727f6a
Source of Spectrum F4-41-737-16d
Synonyms 1-(.beta.,D-Ribofuranoyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-pyridin-4-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]oxolane-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]oxolane-3,4-diol
Wiley ID 1671989