5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one

C23H17FN2O2 — CID 18435607

IUPAC5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cc2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)cn1O
InChIInChI=1S/C23H17FN2O2/c24-20-12-10-19(11-13-20)22-15-26(28)23(27)21(25-22)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15,28H,14H2
InChIKeyFMTQXZJWMDMDQA-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.54
Rot. Bonds4

About 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one

5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one (PubChem CID 18435607) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one
PubChem CID18435607
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cc2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)cn1O
InChIInChI=1S/C23H17FN2O2/c24-20-12-10-19(11-13-20)22-15-26(28)23(27)21(25-22)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15,28H,14H2
InChIKeyFMTQXZJWMDMDQA-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one (CID 18435607) is 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one is O=c1c(Cc2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)cn1O.
What is the InChIKey of 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one?
The InChIKey is FMTQXZJWMDMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-20-12-10-19(11-13-20)22-15-26(28)23(27)21(25-22)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15,28H,14H2.
What are the key properties of 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one?
5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one has a molecular weight of 372.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-hydroxy-3-[(4-phenylphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 18435607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).