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acetamide, 2-[4-[1-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy]-

View entire compound with spectra: 2 NMR

acetamide, 2-[4-[1-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy]-
SpectraBase Compound ID 7qwphv9nxyY
InChI InChI=1S/C23H22N6O4/c1-12-21-14(13-7-8-17(18(9-13)32-2)33-11-19(24)30)10-20(31)27-22(21)29(28-12)23-25-15-5-3-4-6-16(15)26-23/h3-9,14H,10-11H2,1-2H3,(H2,24,30)(H,25,26)(H,27,31)
InChIKey IAWSLCQENRFFDL-UHFFFAOYSA-N
Mol Weight 446.47 g/mol
Molecular Formula C23H22N6O4
Exact Mass 446.170253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6REd9LVqBC
Name Acetamide, 2-[4-[1-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-B]pyridin-4-yl]-2-methoxyphenoxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.170253208 u
Formula C23H22N6O4
InChI InChI=1S/C23H22N6O4/c1-12-21-14(13-7-8-17(18(9-13)32-2)33-11-19(24)30)10-20(31)27-22(21)29(28-12)23-25-15-5-3-4-6-16(15)26-23/h3-9,14H,10-11H2,1-2H3,(H2,24,30)(H,25,26)(H,27,31)
InChIKey IAWSLCQENRFFDL-UHFFFAOYSA-N
Molecular Weight 446.467 g/mol
SMILES N1C2=C(N=C1N1N=C(C=3C(C4=CC(=C(OCC(N)=O)C=C4)OC)CC(NC13)=O)C)C=CC=C2