6-Methyl-1-(4-nitrophenyl)-4-(piperidin-1-yl)-1h-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
5346-45-2- Standard SMILES
Cc1nc(N2CCCCC2)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2n1- InChIKey
ZTGKUVHJOLEAEH-UHFFFAOYSA-N- Molecular formula
- C17H18N6O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.14912384
Names & identifiers
- Preferred name
- 6-Methyl-1-(4-nitrophenyl)-4-(piperidin-1-yl)-1h-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 6-methyl-1-(4-nitrophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
Names & synonyms
5346-45-26-methyl-1-(4-nitrophenyl)-4-(piperidin-1-yl)-1h-pyrazolo[3,4-d]pyrimidine1-[6-methyl-1-(4-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidineNSC16176-methyl-1-(4-nitrophenyl)-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidineDTXSID30968149NSC-16176-METHYL-1-(4-NITROPHENYL)-4-PIPERIDINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5346-45-2- PubChem CID
- 219837
- DTXSID
DTXSID30968149
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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