Name: Name:1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
Brand: Angene
SKU: AG00DJK9
Rating: 90 (10 reviews)

1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester

CAS No.:

473927-64-9

Catalog Number:

AG00DJK9

Molecular Formula:

C22H20IN3O4

Molecular Weight:

517.3164

Catalog Number:

AG00DJK9

Chemical Name:

1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester

CAS Number:

473927-64-9

Molecular Formula:

C22H20IN3O4

Molecular Weight:

517.3164

MDL Number:

MFCD19442850

IUPAC Name:

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

InChI:

InChI=1S/C22H20IN3O4/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,3,12-13H2,1-2H3

InChI Key:

DOONVRNBSUAOKN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)I)c1ccc(cc1)OC

Complexity:

620

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

517.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

517.323g/mol

Monoisotopic Mass:

517.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5