Basic information
- Standard SMILES
Cn1c(=O)c2cn(Cc3ccc(-c4ccncc4)cc3)nc2n(CC(C)(C)C)c1=O- InChIKey
KPLWRLLGTGFOHK-UHFFFAOYSA-N- Molecular formula
- C23H25N5O2
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- IUPAC
- 7-(2,2-dimethylpropyl)-5-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
SCHEMBL7453613KPLWRLLGTGFOHK-UHFFFAOYSA-N5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Database identifiers
- PubChem CID
- 70097472
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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