Basic information
- Standard SMILES
CCN(CC)CCN1CCN(C(=O)c2cc(-c3cnc4c(c3)c(-c3ccccc3OC)cn4S(=O)(=O)c3ccc(C)cc3)cc(F)c2N)CC1- InChIKey
UWRRADOUZXNHTM-UHFFFAOYSA-N- Molecular formula
- C38H43FN6O4S
- Average molar mass
- 698.9 g/mol
Names & identifiers
- Preferred name
- {2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-[4-(2-diethylamino-ethyl)-piperazin-1-yl]-methanone
- IUPAC
- [2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-[4-[2-(diethylamino)ethyl]piperazin-1-yl]methanone
Names & synonyms
SCHEMBL3570793UWRRADOUZXNHTM-UHFFFAOYSA-N{2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-[4-(2-diethylamino-ethyl)-piperazin-1-yl]-methanone
Database identifiers
- PubChem CID
- 57731559
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
3 records
Compound notes
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