XB1K237ZDH structure

XB1K237ZDH

methyl 2-[6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate

Also Known As: 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 2,3-dihydro-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-a,3-dioxo-2-phenyl-, methyl ester|Methyl [6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl](oxo)acetate|1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-.ALPHA.,3-DIOXO-2-PHENYL-, METHYL ESTER|1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-ALPHA,3-DIOXO-2-PHENYL-, METHYL ESTER|1H-Pyrazolo[3,4-b]pyridine-5-acetic acid, 2,3-dihydro-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-a,3-dioxo-2-phenyl-, methyl ester|methyl 2-[4-hydroxy-6-(4-hydroxy-3-methoxy-phenyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-2-oxo-acetate|methyl 2-[6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate

CAS: 220752-06-7
Molecular Formula C22H17N3O7
Molecular Weight 435.10666 g/mol
LogP 2.7
Topological Polar Surface Area 134.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 435.10666
Monoisotopic Mass 435.10666
Heavy Atoms 32
Complexity 903.0

Chemical Identifiers

CAS Number 220752-06-7
SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4)C(=O)C(=O)OC)O
InChIKey HFUBSVFTVKKLFA-UHFFFAOYSA-N

Product Overview

XB1K237ZDH (CAS 220752-06-7), with molecular formula C22H17N3O7 and molecular weight 435.10666 g/mol. IUPAC: methyl 2-[6-(4-hydroxy-3-methoxyphenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate.

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