Basic information
- Standard SMILES
O=C(NC(Cc1ccccc1)C(O)C(=O)O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1- InChIKey
MTFLOFRCGXNQLP-UHFFFAOYSA-N- Molecular formula
- C25H21FN4O4
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoic acid
- IUPAC
- 3-[[2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid
Names & synonyms
SCHEMBL1990537MTFLOFRCGXNQLP-UHFFFAOYSA-N3-(2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoic acid
Database identifiers
- PubChem CID
- 67239352
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
10 records
Compound notes
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