Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(NCCC(O)CO)c(-c2ccn[nH]2)c1- InChIKey
HRCGIGMWWWTIJQ-UHFFFAOYSA-N- Molecular formula
- C20H20ClF2N5O4
- Average molar mass
- 467.9 g/mol
- Monoisotopic mass
- 467.1171882
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3,4-dihydroxybutyl)amino)-5-(1H-pyrazol-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,4-dihydroxybutylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3,4-dihydroxybutyl)amino)-5-(1H-pyrazol-5-yl)nicotinamideCHEMBL3986023SCHEMBL15392911BDBM230846US9340537, 100
Database identifiers
- PubChem CID
- 89907837
- ChEMBL
CHEMBL3986023
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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