Basic information
- Standard SMILES
Cc1ccccc1-n1c(Cn2nc(C(N)=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O- InChIKey
ZBMSILUYNLJEMN-UHFFFAOYSA-N- Molecular formula
- C24H21N7O2
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- 4-amino-1-((8-methyl-1-oxo-2-o-tolyl-1,2-dihydroisoquinolin-3-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
- IUPAC
- 4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
Names & synonyms
SCHEMBL959360CHEMBL3977312ZBMSILUYNLJEMN-UHFFFAOYSA-NBDBM744370US20250170122, Compound 2984-amino-1-((8-methyl-1-oxo-2-o-tolyl-1,2-dihydroisoquinolin-3-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
Database identifiers
- PubChem CID
- 58008596
- ChEMBL
CHEMBL3977312
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 804
Related reactions
5 records
Compound notes
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