Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@H]4CCC[C@@H](N)C4)n3)c3cc(F)cnc32)cc1- InChIKey
LUUCVDNINATMLL-SJORKVTESA-N- Molecular formula
- C24H24F2N6O2S
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- (1S,3R)-N1-[5-fluoro-2-[5-fluoro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine
- IUPAC
- cis-(1S,3R)-1-N-[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine
Names & synonyms
SCHEMBL10006749SCHEMBL30771507LUUCVDNINATMLL-SJORKVTESA-N(1s, 3R)-N1-[5-fluoro-2-[5-fluoro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine(1S,3R)-N1-[5-fluoro-2-[5-fluoro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine
Database identifiers
- PubChem CID
- 68007103
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 823
Related reactions
6 records
Compound notes
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