Basic information
- CAS
90399-92-1- Standard SMILES
Cc1nc2c(cnn2CN2CCCCC2)c(=O)n1-c1ccccc1- InChIKey
MFDKRMXNYOSNAE-UHFFFAOYSA-N- Molecular formula
- C18H21N5O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.17461031
Names & identifiers
- Preferred name
- 6-Methyl-5-phenyl-1-(piperidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 6-methyl-5-phenyl-1-(piperidin-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
90399-92-1NSC3536986-methyl-5-phenyl-1-(piperidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-oneDTXSID00320013NSC-3536986-Methyl-5-phenyl-1-[(piperidin-1-yl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
90399-92-1- PubChem CID
- 337069
- DTXSID
DTXSID00320013
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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