1-(4-Aminophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one - CAS 1267610-26-3

Name: 1-(4-Aminophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006657
Product Name:	1-(4-Aminophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one
CAS:	1267610-26-3
Synonyms:	2(1H)-Pyridinone, 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-

Technical Data

IUPAC Name:	1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one
Description:	An impurity of Apixaban, a direct factor Xa inhibitor used as an anticoagulant for the prevention of venous thromboembolism and stroke in atrial fibrillation.
Molecular Weight:	273.34
Molecular Formula:	C15H19N3O2
Canonical SMILES:	C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)N
InChI:	InChI=1S/C15H19N3O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11,16H2
InChI Key:	YUGIGSPFTMLIMA-UHFFFAOYSA-N
Boiling Point:	491.5±45.0 °C (Predicted)
Melting Point:	>246 °C (dec.)
Density:	1.277±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Beige Solid
LogP:	1.80570

Publication Number	Title	Priority Date
CN-112142736-A	Preparation method of apixaban impurity 1	20201029
CN-112142736-B	Preparation method of apixaban impurity 1	20201029
CN-111116553-A	Preparation method of dihydropyridone derivatives	20191210
WO-2018158620-A1	Preparation of active pharmaceutical ingredients and intermediates thereof	20170228
EP-3064497-A1	Dimer impurities of apixaban and method to remove them	20150720

Complexity:	383
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.147726857
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.147726857
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1