Basic information
- CAS
90399-94-3- Standard SMILES
COc1ccccc1-n1c(C)nc2c(cnn2CN2CCCCC2)c1=O- InChIKey
QSFNGPWRCSBUMD-UHFFFAOYSA-N- Molecular formula
- C19H23N5O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18517499
Names & identifiers
- Preferred name
- 5-(2-Methoxyphenyl)-6-methyl-1-(piperidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 5-(2-methoxyphenyl)-6-methyl-1-(piperidin-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
90399-94-3NSC3536995-(2-methoxyphenyl)-6-methyl-1-(piperidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-oneDTXSID60320014NSC-3536995-(2-Methoxyphenyl)-6-methyl-1-[(piperidin-1-yl)methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
90399-94-3- PubChem CID
- 337070
- DTXSID
DTXSID60320014
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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