3-((4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one

HCID 58008652

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

Related reactions

8 records

Compound notes

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