Basic information
- Standard SMILES
CCNC(=O)C1CCCC(Nc2nc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncc(Cl)cc34)ncc2F)C1O- InChIKey
DIXYOHGYEFXJFM-UHFFFAOYSA-N- Molecular formula
- C27H28ClFN6O4S
- Average molar mass
- 587.1 g/mol
Names & identifiers
- Preferred name
- 3-[[2-[5-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-pyrimidin-4-yl]amino]-N-ethyl-2-hydroxy-cyclohexanecarboxamide
- IUPAC
- 3-[[2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-yl]amino]-N-ethyl-2-hydroxycyclohexane-1-carboxamide
Names & synonyms
SCHEMBL3432815DIXYOHGYEFXJFM-UHFFFAOYSA-N3-[[2-[5-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-pyrimidin-4-yl]amino]-N-ethyl-2-hydroxy-cyclohexanecarboxamide
Database identifiers
- PubChem CID
- 68640709
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 983
Related reactions
4 records
Compound notes
Loading…