(R)-N-(4-((Difluoromethyl)thio)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
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Basic information
- Standard SMILES
O=C(Nc1ccc(SC(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1- InChIKey
RYZWTXHRSZJWHO-MRXNPFEDSA-N- Molecular formula
- C21H19F2N5O2S
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- (R)-N-(4-((Difluoromethyl)thio)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
- IUPAC
- N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
Names & synonyms
(R)-N-(4-((Difluoromethyl)thio)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamideCHEMBL4107125SCHEMBL15393381BDBM213619US9278981, 211
Database identifiers
- PubChem CID
- 89908262
- ChEMBL
CHEMBL4107125
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 590
Related reactions
1 records
Compound notes
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