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6H-pyrazolo[3,4-b]pyridin-6-one, 1-(1H-benzimidazol-2-yl)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydro-3-methyl-

View entire compound with spectra: 2 NMR

6H-pyrazolo[3,4-b]pyridin-6-one, 1-(1H-benzimidazol-2-yl)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydro-3-methyl-
SpectraBase Compound ID 9Wu6KNDSCQa
InChI InChI=1S/C27H22ClN5O2/c1-16-25-20(17-10-12-19(13-11-17)35-15-18-6-2-3-7-21(18)28)14-24(34)31-26(25)33(32-16)27-29-22-8-4-5-9-23(22)30-27/h2-13,20H,14-15H2,1H3,(H,29,30)(H,31,34)
InChIKey RLEAYESIODVPNF-UHFFFAOYSA-N
Mol Weight 483.96 g/mol
Molecular Formula C27H22ClN5O2
Exact Mass 483.146203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eHWh9KKKkz
Name 6H-Pyrazolo[3,4-B]pyridin-6-one, 1-(1H-benzimidazol-2-yl)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydro-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.146202666 u
Formula C27H22ClN5O2
InChI InChI=1S/C27H22ClN5O2/c1-16-25-20(17-10-12-19(13-11-17)35-15-18-6-2-3-7-21(18)28)14-24(34)31-26(25)33(32-16)27-29-22-8-4-5-9-23(22)30-27/h2-13,20H,14-15H2,1H3,(H,29,30)(H,31,34)
InChIKey RLEAYESIODVPNF-UHFFFAOYSA-N
Molecular Weight 483.959 g/mol
SMILES N1C=2C=CC=CC2N=C1N1C2=C(C(=N1)C)C(CC(N2)=O)C1=CC=C(C=C1)OCC1=CC=CC=C1Cl