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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID LlfNcaoUVnc
InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)14-4-2-13(3-5-14)15-8-19(28)26-20-16(15)9-25-27(20)10-12-1-6-17-18(7-12)30-11-29-17/h1-7,9,15H,8,10-11H2,(H,26,28)
InChIKey BMKSERPYABUBPI-UHFFFAOYSA-N
Mol Weight 415.37 g/mol
Molecular Formula C21H16F3N3O3
Exact Mass 415.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6P2k9GVbb81
Name 1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16F3N3O3
InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)14-4-2-13(3-5-14)15-8-19(28)26-20-16(15)9-25-27(20)10-12-1-6-17-18(7-12)30-11-29-17/h1-7,9,15H,8,10-11H2,(H,26,28)
InChIKey BMKSERPYABUBPI-UHFFFAOYSA-N
Molecular Weight 415.372 g/mol
SMILES N1c2c(C(CC1=O)c1ccc(cc1)C(F)(F)F)cn[n]2Cc1ccc2OCOc2c1
SPLASH splash10-000i-2900000000-a9c235ffebf91811aed7
Source of Spectrum IY-2-5030-3
Synonyms 6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(1,3-benzodioxol-5-ylmethyl)-1,4,5,7-tetrahydro-4-[4-(trifluoromethyl)phenyl]-
Wiley ID 1658286