Ethyl (3-Methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carboxamido)benzoate

SpectraBase Compound ID	4aiNH6EmvDM
InChI	InChI=1S/C23H22N4O4/c1-3-31-23(30)16-11-7-8-12-18(16)24-22(29)17-13-19(28)25-21-20(17)14(2)26-27(21)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKey	PDDKJYMUFHHASB-UHFFFAOYSA-N Google Search
Mol Weight	418.45 g/mol
Molecular Formula	C23H22N4O4
Exact Mass	418.164105 g/mol

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SpectraBase Spectrum ID	K0b43dB6rhb
Name	Ethyl (3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-B]pyridine-4-carboxamido)benzoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	418.164105200 u
Formula	C23H22N4O4
InChI	InChI=1S/C23H22N4O4/c1-3-31-23(30)16-11-7-8-12-18(16)24-22(29)17-13-19(28)25-21-20(17)14(2)26-27(21)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKey	PDDKJYMUFHHASB-UHFFFAOYSA-N
Molecular Weight	418.453 g/mol
SMILES	C12=C(C(C)=NN2C=2C=CC=CC2)C(C(NC=2C(C(=O)OCC)=CC=CC2)=O)CC(N1)=O