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6H-pyrazolo[3,4-b]pyridin-6-one, 1,4,5,7-tetrahydro-4-(4-methoxyphenyl)-3-methyl-1-[6-(4-morpholinyl)-3-pyridazinyl]-
SpectraBase Compound ID 7goTaKhNhV0
InChI InChI=1S/C22H24N6O3/c1-14-21-17(15-3-5-16(30-2)6-4-15)13-20(29)23-22(21)28(26-14)19-8-7-18(24-25-19)27-9-11-31-12-10-27/h3-8,17H,9-13H2,1-2H3,(H,23,29)
InChIKey UWQSSOZVHZMGEI-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C22H24N6O3
Exact Mass 420.190989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GpfN1klK0i
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1,4,5,7-tetrahydro-4-(4-methoxyphenyl)-3-methyl-1-[6-(4-morpholinyl)-3-pyridazinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.190988654 u
Formula C22H24N6O3
InChI InChI=1S/C22H24N6O3/c1-14-21-17(15-3-5-16(30-2)6-4-15)13-20(29)23-22(21)28(26-14)19-8-7-18(24-25-19)27-9-11-31-12-10-27/h3-8,17H,9-13H2,1-2H3,(H,23,29)
InChIKey UWQSSOZVHZMGEI-UHFFFAOYSA-N
Molecular Weight 420.473 g/mol
SMILES N1C(CC(C2=C1N(N=C2C)C=1C=CC(=NN1)N1CCOCC1)C1=CC=C(C=C1)OC)=O