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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID 5rhvDugvzwb
InChI InChI=1S/C20H15BrFN3O3/c21-15-6-12(2-3-16(15)22)13-7-19(26)24-20-14(13)8-23-25(20)9-11-1-4-17-18(5-11)28-10-27-17/h1-6,8,13H,7,9-10H2,(H,24,26)
InChIKey SWXHJKKMHMLLLX-UHFFFAOYSA-N
Mol Weight 444.26 g/mol
Molecular Formula C20H15BrFN3O3
Exact Mass 443.028083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZF4p7nMQkr
Name 1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
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Formula C20H15BrFN3O3
InChI InChI=1S/C20H15BrFN3O3/c21-15-6-12(2-3-16(15)22)13-7-19(26)24-20-14(13)8-23-25(20)9-11-1-4-17-18(5-11)28-10-27-17/h1-6,8,13H,7,9-10H2,(H,24,26)
InChIKey SWXHJKKMHMLLLX-UHFFFAOYSA-N
Molecular Weight 444.260 g/mol
SMILES N1C(CC(c2c1[n](nc2)Cc1ccc2OCOc2c1)c1ccc(c(c1)Br)F)=O
SPLASH splash10-000i-5900000000-ff135b390b684524363f
Source of Spectrum IY-2-5070-7
Synonyms 6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-fluorophenyl)-1,4,5,7-tetrahydro-
Wiley ID 1658690