Basic information
- Standard SMILES
CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1- InChIKey
QZWUFSOCTRROPU-UHFFFAOYSA-N- Molecular formula
- C40H40F2N8O4S
- Average molar mass
- 766.9 g/mol
- Monoisotopic mass
- 766.28612928
Names & identifiers
- Preferred name
- N-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
- IUPAC
- N-(2,6-difluorophenyl)-3-[3-[2-[2-ethoxy-5-methyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
Names & synonyms
SCHEMBL311151CHEMBL3944957QZWUFSOCTRROPU-UHFFFAOYSA-NN-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 59452863
- ChEMBL
CHEMBL3944957
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
2 records
Compound notes
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