Basic information
- Standard SMILES
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F- InChIKey
OFRBTEGWYCEAEP-UHFFFAOYSA-N- Molecular formula
- C38H36F2N8O5S
- Average molar mass
- 754.8 g/mol
- Monoisotopic mass
- 754.24974378
Names & identifiers
- Preferred name
- N-(2,6-difluorophenyl)-2-(ethyloxy)-5-{3-[2-({2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
- IUPAC
- N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
Names & synonyms
SCHEMBL310945CHEMBL3972228OFRBTEGWYCEAEP-UHFFFAOYSA-NN-(2,6-difluorophenyl)-2-(ethyloxy)-5-{3-[2-({2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
Database identifiers
- PubChem CID
- 59452808
- ChEMBL
CHEMBL3972228
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
1 records
Compound notes
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