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Basic information
- Standard SMILES
Cc1nnnn1-c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
LUIVEEGQRZWZHX-UHFFFAOYSA-N- Molecular formula
- C23H27N9O3
- Average molar mass
- 477.5 g/mol
Names & identifiers
- Preferred name
- 4-{4-[4-(5-Methyl-tetrazol-1-yl)-phenoxy]-pyrazolo[3,4-d]pyrimidin-1-yl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[4-(5-methyltetrazol-1-yl)phenoxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4354254LUIVEEGQRZWZHX-UHFFFAOYSA-N4-{4-[4-(5-methyl-tetrazol-1-yl)-phenoxy]-pyrazolo[3,4-d]pyrimidin-1-yl}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 44514404
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 722
Related reactions
4 records
Compound notes
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