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N-(3-chloro-4-fluorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
SpectraBase Compound ID FdooUHudKoZ
InChI InChI=1S/C23H18ClFN4O/c1-13-21-17(23(30)26-15-9-10-19(25)18(24)11-15)12-20(14-7-8-14)27-22(21)29(28-13)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8H2,1H3,(H,26,30)
InChIKey CRKURCOWONAIGX-UHFFFAOYSA-N
Mol Weight 420.88 g/mol
Molecular Formula C23H18ClFN4O
Exact Mass 420.115317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JU3L1clKaEV
Name N-(3-Chloro-4-fluorophenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-B]pyridine-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.115317078 u
Formula C23H18ClFN4O
InChI InChI=1S/C23H18ClFN4O/c1-13-21-17(23(30)26-15-9-10-19(25)18(24)11-15)12-20(14-7-8-14)27-22(21)29(28-13)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8H2,1H3,(H,26,30)
InChIKey CRKURCOWONAIGX-UHFFFAOYSA-N
Molecular Weight 420.875 g/mol
SMILES N(C(C=1C2=C(N(N=C2C)C2=CC=CC=C2)N=C(C1)C1CC1)=O)C=1C=C(Cl)C(=CC1)F