Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2C[C@@H](CO)[C@H](O)C2)c(-c2cncnc2)c1- InChIKey
HZMFUMITZSYYDC-HNAYVOBHSA-N- Molecular formula
- C22H20ClF2N5O4
- Average molar mass
- 491.9 g/mol
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-(trans-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-6-(trans-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamideSCHEMBL15393126
Database identifiers
- PubChem CID
- 89908027
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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