Basic information
- Standard SMILES
Cc1nn(-c2ccccc2)c2nc(C3CCNCC3)[nH]c(=O)c12.Cl- InChIKey
OBSGJRHKIKTSJR-UHFFFAOYSA-N- Molecular formula
- C17H20ClN5O
- Average molar mass
- 345.8 g/mol
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-6-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one hydrochloride
- IUPAC
- 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
Names & synonyms
SCHEMBL2547234SCHEMBL2547321OBSGJRHKIKTSJR-UHFFFAOYSA-N3-methyl-1-phenyl-6-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one hydrochloride
Database identifiers
- PubChem CID
- 136386281
Properties
Computed structural properties
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
3 records
Compound notes
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