Basic information
- Standard SMILES
Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O- InChIKey
VKFNBQZRLKDCED-UHFFFAOYSA-N- Molecular formula
- C23H19IN6O
- Average molar mass
- 522.3 g/mol
Names & identifiers
- Preferred name
- 3-((4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
- IUPAC
- 3-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
Names & synonyms
SCHEMBL958791CHEMBL3972055SCHEMBL29479398VKFNBQZRLKDCED-UHFFFAOYSA-NBDBM744091BDBM744189US20250170122, Compound 6US20250170122, Compound 1043-((4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 58008652
- ChEMBL
CHEMBL3972055
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 718
Related reactions
8 records
Compound notes
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