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5-Acetyl-6-(4-chlorophenylamino)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine

View entire compound with spectra: 1 MS (GC)

5-Acetyl-6-(4-chlorophenylamino)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID GHag3BIItEO
InChI InChI=1S/C21H17ClN4O/c1-13-18-12-19(14(2)27)20(23-16-10-8-15(22)9-11-16)24-21(18)26(25-13)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24)
InChIKey PAONBQJBELQPDV-UHFFFAOYSA-N
Mol Weight 376.85 g/mol
Molecular Formula C21H17ClN4O
Exact Mass 376.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgK4IzYkayO
Name 5-Acetyl-6-(4-chlorophenylamino)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
CAS Registry Number 116972-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4O
InChI InChI=1S/C21H17ClN4O/c1-13-18-12-19(14(2)27)20(23-16-10-8-15(22)9-11-16)24-21(18)26(25-13)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24)
InChIKey PAONBQJBELQPDV-UHFFFAOYSA-N
Molecular Weight 376.847 g/mol
SMILES N(c1nc2[n](nc(c2cc1C(=O)C)C)-c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-004i-3059000000-ff7176c4a9f8bf06eaa5
Source of Spectrum K-122-312-15
Synonyms 1-[6-(4-chloroanilino)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl]ethanone
Wiley ID 1357720