Basic information
- Standard SMILES
Cc1ccc(NC(=O)[C@H](CCNS(C)(=O)=O)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1- InChIKey
PFFPTRBBPNPQBG-SFHVURJKSA-N- Molecular formula
- C22H22ClN7O4S
- Average molar mass
- 516 g/mol
- Monoisotopic mass
- 515.1142511
Names & identifiers
- Preferred name
- (2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methylpyridin-2-yl)-4-(methylsulfonamido)butanamide
- IUPAC
- (2S)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)butanamide
Names & synonyms
SCHEMBL838223PFFPTRBBPNPQBG-SFHVURJKSA-N(2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methylpyridin-2-yl)-4-(methylsulfonamido)butanamide
Database identifiers
- PubChem CID
- 57504390
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
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