Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1- InChIKey
SXTRKVXLELDRIE-INIZCTEOSA-N- Molecular formula
- C21H18ClF2N5O3
- Average molar mass
- 461.8 g/mol
Names & identifiers
- Preferred name
- (S)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
Names & synonyms
(S)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamideCHEMBL3900732SCHEMBL15393338BDBM213577US9278981, 169
Database identifiers
- PubChem CID
- 89908224
- ChEMBL
CHEMBL3900732
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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