2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid

C20H17FN2O3 — CID 158193786

IUPAC2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cnc(CCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H17FN2O3/c21-16-9-6-14(7-10-16)8-11-17-20(26)23(13-19(24)25)18(12-22-17)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H,24,25)
InChIKeyXUSZCVJCECOGJG-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.92
Rot. Bonds6

About 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid

2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid (PubChem CID 158193786) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
PubChem CID158193786
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cnc(CCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H17FN2O3/c21-16-9-6-14(7-10-16)8-11-17-20(26)23(13-19(24)25)18(12-22-17)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H,24,25)
InChIKeyXUSZCVJCECOGJG-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid;3-[2-(4-fluorophenyl)ethyl]-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]-6-phenylpyrazin-2-one
CID 158193785
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
N-[1-(2-amino-2-oxoethyl)-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-3-phenylpropanamide
CID 18725852
3-(4-methoxybutyl)-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]-6-phenylpyrazin-2-one
CID 162240811
2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid;2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-ylmethyl)acetamide;4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-ylmethanamine
CID 159814750
2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
2-[3-(5-methoxypentyl)-2-oxo-6-phenylpyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158848182
2-[3-(3,3-difluoro-3-phenylpropyl)-6-(1-methylpyrazol-4-yl)-2-oxopyrazin-1-yl]acetic acid;3-(3,3-difluoro-3-phenylpropyl)-6-(1-methylpyrazol-4-yl)-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]pyrazin-2-one;1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine
CID 160609723
(2S)-N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 58581595

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid (CID 158193786) is 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2)cnc(CCc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid?
The InChIKey is XUSZCVJCECOGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-16-9-6-14(7-10-16)8-11-17-20(26)23(13-19(24)25)18(12-22-17)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H,24,25).
What are the key properties of 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid?
2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid has a molecular weight of 352.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid is sourced from PubChem (CID 158193786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).