N-(4-(Chlorodifluoromethoxy)phenyl)-6-(trans-3-fluoro-4-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
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Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2C[C@@H](O)[C@H](F)C2)c(-c2ccn[nH]2)c1- InChIKey
LEKCFEKJMQWMAB-NVXWUHKLSA-N- Molecular formula
- C20H17ClF3N5O3
- Average molar mass
- 467.8 g/mol
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-(trans-3-fluoro-4-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-6-(trans-3-fluoro-4-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamideSCHEMBL15392379
Database identifiers
- PubChem CID
- 89907402
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
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Related reactions
1 records
Compound notes
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