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