Basic information
- Standard SMILES
Cc1nn(-c2ccccc2)c2nc(C3CCN(C4CCN(C(=O)OC(C)(C)C)C4)CC3)[nH]c(=O)c12- InChIKey
QSKARSDOVSTGSI-UHFFFAOYSA-N- Molecular formula
- C26H34N6O3
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-(4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-1-yl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-(3-methyl-4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2549483SCHEMBL2551520QSKARSDOVSTGSI-UHFFFAOYSA-Ntert-butyl 3-(4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-1-yl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 136386282
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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