Basic information
- Standard SMILES
COc1cccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1- InChIKey
ZKCNTUKOSVMBDG-UHFFFAOYSA-N- Molecular formula
- C30H26N6O2
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.21172409
Names & identifiers
- Preferred name
- 3-((4-amino-3-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
- IUPAC
- 3-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
Names & synonyms
SCHEMBL955596CHEMBL3961908SCHEMBL29479406ZKCNTUKOSVMBDG-UHFFFAOYSA-NBDBM744191US20250170122, Compound 1063-((4-amino-3-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 58008694
- ChEMBL
CHEMBL3961908
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 883
Related reactions
11 records
Compound notes
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