Basic information
- Standard SMILES
COc1cc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc(OC)c1- InChIKey
ISAOFZOXPKOJAI-UHFFFAOYSA-N- Molecular formula
- C20H19ClN6O2
- Average molar mass
- 410.9 g/mol
Names & identifiers
- Preferred name
- 4-(3-chloro-phenylamino)-3-(3,5-dimethoxybenzylamino)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-N-(3-chlorophenyl)-3-N-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
Names & synonyms
SCHEMBL8125461ISAOFZOXPKOJAI-UHFFFAOYSA-N4-(3-chloro-phenylamino)-3-(3,5-dimethoxybenzylamino)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 19610643
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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