Basic information
- Standard SMILES
CS(=O)(=O)N1CCC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1- InChIKey
WIXLFABTXLAILM-NSHDSACASA-N- Molecular formula
- C17H18ClFN6O2S
- Average molar mass
- 424.9 g/mol
Names & identifiers
- Preferred name
- (S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(methylsulfonyl)piperidin-3-yl)pyrimidin-4-amine
- IUPAC
- 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
Names & synonyms
SCHEMBL10007995WIXLFABTXLAILM-NSHDSACASA-N(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(methylsulfonyl)piperidin-3-yl)pyrimidin-4-amine
Database identifiers
- PubChem CID
- 68008015
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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