Basic information
- Standard SMILES
O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2cncnc2)c1- InChIKey
MEABAANAHNWEPH-AWEZNQCLSA-N- Molecular formula
- C22H20F3N5O2S
- Average molar mass
- 475.5 g/mol
Names & identifiers
- Preferred name
- (S)-6-(3-(Hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide
- IUPAC
- 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
Names & synonyms
(S)-6-(3-(Hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamideCHEMBL3911270SCHEMBL15393580BDBM213597US9278981, 189
Database identifiers
- PubChem CID
- 89908453
- ChEMBL
CHEMBL3911270
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
Loading…