7-[(4-methoxyphenyl)methyl]-5-methyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione - CAS 1351961-59-5

Name: 7-[(4-methoxyphenyl)methyl]-5-methyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008093
Product Name:	7-[(4-methoxyphenyl)methyl]-5-methyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CAS:	1351961-59-5
Synonyms:	7-[(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione; 7-[(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione

Technical Data

IUPAC Name:	7-[(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Description:	An intermediate in the synthesis of PDE-1 inhibitors, used in therapy for parkinson's disease, depression and narcolepsy.
Molecular Weight:	286.291
Molecular Formula:	C14H14N4O3
Canonical SMILES:	CN1C(=O)C2=C(NN=C2)N(C1=O)CC3=CC=C(C=C3)OC
InChI:	InChI=1S/C14H14N4O3/c1-17-13(19)11-7-15-16-12(11)18(14(17)20)8-9-3-5-10(21-2)6-4-9/h3-7H,8H2,1-2H3,(H,15,16)
InChI Key:	JVYBHXSIAJRNGN-UHFFFAOYSA-N
LogP:	0.48020

Publication Number	Title	Priority Date
WO-2019165073-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180221
US-2020392161-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180221
EP-3310779-B1	Compounds and compositions for inhibiting the activity of shp2	20150619
US-2019185475-A1	Compounds and compositions for inhbiting the activity of shp2	20150619
US-10975080-B2	Compounds and compositions for inhibiting the activity of SHP2	20150619

Complexity:	422
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.10659032
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.10659032
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9