Basic information
- Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCC#N)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC.CS(=O)(=O)O- InChIKey
ZAEKXIKPIUTMRV-UHFFFAOYSA-N- Molecular formula
- C38H46F2N6O7S
- Average molar mass
- 768.9 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-cyanoethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine Methanesulfonic Acid Salt
- IUPAC
- 3-[2-[[1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]propanenitrile;methanesulfonic acid
Names & synonyms
SCHEMBL7982281ZAEKXIKPIUTMRV-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-cyanoethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine Methanesulfonic Acid Salt
Database identifiers
- PubChem CID
- 22009387
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
Loading…