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N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
SpectraBase Compound ID 1ykDC5JXuXs
InChI InChI=1S/C24H21ClN4O/c1-14-8-11-17(25)12-20(14)27-24(30)19-13-21(16-9-10-16)26-23-22(19)15(2)28-29(23)18-6-4-3-5-7-18/h3-8,11-13,16H,9-10H2,1-2H3,(H,27,30)
InChIKey BFKQAEGPKWJYPT-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C24H21ClN4O
Exact Mass 416.140389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbGox9ejqd9
Name N-(5-Chloro-2-methylphenyl)-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 416.140389011 u
Formula C24H21ClN4O
InChI InChI=1S/C24H21ClN4O/c1-14-8-11-17(25)12-20(14)27-24(30)19-13-21(16-9-10-16)26-23-22(19)15(2)28-29(23)18-6-4-3-5-7-18/h3-8,11-13,16H,9-10H2,1-2H3,(H,27,30)
InChIKey BFKQAEGPKWJYPT-UHFFFAOYSA-N
Molecular Weight 416.912 g/mol
SMILES N(C(C=1C2=C(N(N=C2C)C=2C=CC=CC2)N=C(C1)C1CC1)=O)C=1C=C(Cl)C=CC1C