Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1- InChIKey
BUASULFPEGUFMH-UHFFFAOYSA-N- Molecular formula
- C17H19N5O3S
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL390767BUASULFPEGUFMH-UHFFFAOYSA-N1-(4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine1-(4-methanesulfonyl-phenyl)-4-(piperidin4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 11360802
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Related reactions
38 records
Compound notes
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