Ethyl 3-(2-(3-(4-fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoate

HCID 67239028
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Basic information

Standard SMILES
CCOC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1
InChIKey
JBKBAQFUZOWCCU-UHFFFAOYSA-N
Molecular formula
C27H25FN4O4
Average molar mass
488.5 g/mol
Monoisotopic mass
488.18598345

Names & identifiers

Preferred name
Ethyl 3-(2-(3-(4-fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoate
IUPAC
ethyl 3-[[2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carbonyl]amino]-2-hydroxy-4-phenylbutanoate

Names & synonyms

SCHEMBL1989710JBKBAQFUZOWCCU-UHFFFAOYSA-NEthyl 3-(2-(3-(4-fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoate

Database identifiers

PubChem CID
67239028

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
36

Related reactions

6 records
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Compound notes

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