Basic information
- Standard SMILES
O=C(NC(Cc1ccccc1)C(O)C(=O)NCCCc1ccccn1)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1- InChIKey
ZHUKPGFMVLVVRE-UHFFFAOYSA-N- Molecular formula
- C33H31FN6O3
- Average molar mass
- 578.6 g/mol
Names & identifiers
- Preferred name
- 2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)-N-(3-hydroxy-4-oxo-1-phenyl-4-(3-(pyridin-2-yl)propylamino)butan-2-yl)nicotinamide
- IUPAC
- 2-[3-(4-fluorophenyl)pyrazol-1-yl]-N-[3-hydroxy-4-oxo-1-phenyl-4-(3-pyridin-2-ylpropylamino)butan-2-yl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL1991306ZHUKPGFMVLVVRE-UHFFFAOYSA-N2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)-N-(3-hydroxy-4-oxo-1-phenyl-4-(3-(pyridin-2-yl)propylamino)butan-2-yl)nicotinamide
Database identifiers
- PubChem CID
- 67239669
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 868
Related reactions
2 records
Compound notes
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