chempirical

Ethyl 6-(4-aminophenyl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-C]pyridine-3-carboxylate

C22H22N4O4CAS 503615-07-4406.44 g/mol

Open in Covalent MOL file
OONNONH2NO
AmideEsterEtherLactamPrimary amine

Properties

Molecular formula
C22H22N4O4
Molar mass
406.44 g/mol
Exact mass
406.1641 Da
logP
2.84Crippen estimate
Polar surface area
99.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Identifiers

CAS number
503615-07-4
SMILES
CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N)cc1)C2=O
InChIKey
UVAQGQOGOJLALA-UHFFFAOYSA-N
InChI
InChI=1S/C22H22N4O4/c1-3-30-22(28)19-18-12-13-25(15-6-4-14(23)5-7-15)21(27)20(18)26(24-19)16-8-10-17(29-2)11-9-16/h4-11H,3,12-13,23H2,1-2H3

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Names and synonyms

2 names
  • 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-(4-aminophenyl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-, ethyl ester
  • 6-(4-Aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester

Work with Ethyl 6-(4-aminophenyl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-C]pyridine-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine-3-carboxylate503614-91-377 % similar Ethyl 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-C]pyridine-3-carboxylate536759-91-876 % similar 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine-3-carboxylic acid503614-92-457 % similar Apixaban503612-47-355 % similar Ethyl 4-methoxybenzoate94-30-438 % similar 4-[4-(4-Methoxyphenyl)-1-piperazinyl]benzenamine74852-62-337 % similar Benzocaine94-09-737 % similar Benzocaine hydrochloride23239-88-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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