3,4-Dihydro-4-oxo-pyrido[3,4-d]pyrimidine-2-carboxylic Acid - CAS 869296-21-9

Catalog:	BB062958
Product Name:	3,4-Dihydro-4-oxo-pyrido[3,4-d]pyrimidine-2-carboxylic Acid
CAS:	869296-21-9
Synonyms:	1,4-Dihydro-4-oxo-pyrido[3,4-d]pyrimidine-2-carboxylic Acid Ethyl ester (9CI); Ethyl 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine-2-carboxylate

Technical Data

IUPAC Name:	ethyl 4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxylate
Description:	3,4-Dihydro-4-oxo-pyrido[3,4-d]pyrimidine-2-carboxylic Acid is used in the synthesis of metalloprotease inhibitors. Also used in the synthesis of MMP-13 inhibitors in the treatment of arthritis.
Molecular Weight:	219.2
Molecular Formula:	C10H9N3O3
Canonical SMILES:	CCOC(=O)C1=NC2=C(C=CN=C2)C(=O)N1
InChI:	InChI=1S/C10H9N3O3/c1-2-16-10(15)8-12-7-5-11-4-3-6(7)9(14)13-8/h3-5H,2H2,1H3,(H,12,13,14)
InChI Key:	CILMXDLNTUCWNJ-UHFFFAOYSA-N

Complexity:	340
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.06439116
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.06439116
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3