2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid

C17H20N2O5 — CID 22284329

IUPAC2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid
SMILESCC(=O)N1C=C(c2cccc(O)c2)N(CC(=O)O)C(=O)C1C(C)C
InChIInChI=1S/C17H20N2O5/c1-10(2)16-17(24)19(9-15(22)23)14(8-18(16)11(3)20)12-5-4-6-13(21)7-12/h4-8,10,16,21H,9H2,1-3H3,(H,22,23)
InChIKeyKCNZWHWUFICVQR-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.49
Rot. Bonds4

About 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid

2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid (PubChem CID 22284329) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid
PubChem CID22284329
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid
SMILESCC(=O)N1C=C(c2cccc(O)c2)N(CC(=O)O)C(=O)C1C(C)C
InChIInChI=1S/C17H20N2O5/c1-10(2)16-17(24)19(9-15(22)23)14(8-18(16)11(3)20)12-5-4-6-13(21)7-12/h4-8,10,16,21H,9H2,1-3H3,(H,22,23)
InChIKeyKCNZWHWUFICVQR-UHFFFAOYSA-N
XLogP1.49
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-3-phenylpropanoate
CID 86759893
2-(1-formyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetic acid
CID 22284129
2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid
CID 173208355
2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-4-dimethylsilyloxy-3-hydroxy-5,5-dimethyl-1-phenylhexan-2-yl]acetamide
CID 173208427
ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
CID 90771332
2-(1-acetyl-2-butan-2-yl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
CID 22284374
2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87979058
2-(1-benzoyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(4,4,5,5,6,6,6-heptafluoro-3-oxo-1-phenylhexan-2-yl)acetamide
CID 22736137
N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87978684
2-[1-(benzenesulfonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
CID 22284328
2-[(2S)-1-formyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
CID 87979021
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 150682020

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid (CID 22284329) is 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid is CC(=O)N1C=C(c2cccc(O)c2)N(CC(=O)O)C(=O)C1C(C)C.
What is the InChIKey of 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid?
The InChIKey is KCNZWHWUFICVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10(2)16-17(24)19(9-15(22)23)14(8-18(16)11(3)20)12-5-4-6-13(21)7-12/h4-8,10,16,21H,9H2,1-3H3,(H,22,23).
What are the key properties of 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid?
2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-5-(3-hydroxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid is sourced from PubChem (CID 22284329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).