Basic information
- Standard SMILES
COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C2COC2)C1- InChIKey
JVIVLWMFLLLIRQ-UHFFFAOYSA-N- Molecular formula
- C22H27ClN6O2
- Average molar mass
- 442.9 g/mol
Names & identifiers
- Preferred name
- 1-{1-[5-chloro-2-methoxy-4-methyl-3-(1-oxetan-3-ylazetidin-3-yl)phenyl]ethyl}-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[1-[5-chloro-2-methoxy-4-methyl-3-[1-(oxetan-3-yl)azetidin-3-yl]phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-{1-[5-chloro-2-methoxy-4-methyl-3-(1-oxetan-3-ylazetidin-3-yl)phenyl]ethyl}-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineCHEMBL6011293SCHEMBL14736304JVIVLWMFLLLIRQ-UHFFFAOYSA-NBDBM255854US9707233, 63
Database identifiers
- PubChem CID
- 86677673
- ChEMBL
CHEMBL6011293
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
Loading…