Basic information
- Standard SMILES
Cc1nn(-c2ccccc2)c2nc(C3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)[nH]c(=O)c12- InChIKey
LAEMHSRFNQHUHU-UHFFFAOYSA-N- Molecular formula
- C27H36N6O3
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-1-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(3-methyl-4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2550885SCHEMBL2551697LAEMHSRFNQHUHU-UHFFFAOYSA-Ntert-butyl 4-(4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-1-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 136386283
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 835
Related reactions
1 records
Compound notes
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