Name: Name:Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate
Brand: Angene
SKU: AG00DB5X
Rating: 90 (10 reviews)

Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

CAS No.:

536759-91-8

Catalog Number:

AG00DB5X

Molecular Formula:

C22H20N4O6

Molecular Weight:

436.4174

Catalog Number:

AG00DB5X

Chemical Name:

Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

CAS Number:

536759-91-8

Molecular Formula:

C22H20N4O6

Molecular Weight:

436.4174

MDL Number:

MFCD18251627

IUPAC Name:

ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

InChI:

InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3

InChI Key:

RQNAOIQEGPVYTC-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC

EC Number:

611-033-0

Complexity:

699

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

436.138g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

436.424g/mol

Monoisotopic Mass:

436.138g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6