3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide

C25H24N2O5 — CID 159369422

IUPAC3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide
SMILESCC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)C1c1ccc(C)cc1.O=C=O
InChIInChI=1S/C24H24N2O3.CO2/c1-14-8-10-17(11-9-14)22-21(16(3)27)23(28)24(29)26(22)13-12-18-15(2)25-20-7-5-4-6-19(18)20;2-1-3/h4-11,22,25,28H,12-13H2,1-3H3;
InChIKeyLJOAXQPSIXATKK-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds5

About 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide

3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide (PubChem CID 159369422) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide
PubChem CID159369422
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide
SMILESCC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)C1c1ccc(C)cc1.O=C=O
InChIInChI=1S/C24H24N2O3.CO2/c1-14-8-10-17(11-9-14)22-21(16(3)27)23(28)24(29)26(22)13-12-18-15(2)25-20-7-5-4-6-19(18)20;2-1-3/h4-11,22,25,28H,12-13H2,1-3H3;
InChIKeyLJOAXQPSIXATKK-UHFFFAOYSA-N
XLogP3.73
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide 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

3-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 6922877
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(3-oxobutyl)-2H-pyrrol-5-one
CID 59367481
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 3349682
2-[(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7429071
[3-acetyl-1-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-yl] acetate
CID 118231522
3-acetyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4747422
3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide
CID 159608792
3-acetyl-1-(2-aminoethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 583186
2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 767041
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792669

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide?
The IUPAC name of 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide (CID 159369422) is 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide?
The canonical SMILES for 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide is CC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)C1c1ccc(C)cc1.O=C=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide?
The InChIKey is LJOAXQPSIXATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3.CO2/c1-14-8-10-17(11-9-14)22-21(16(3)27)23(28)24(29)26(22)13-12-18-15(2)25-20-7-5-4-6-19(18)20;2-1-3/h4-11,22,25,28H,12-13H2,1-3H3;.
What are the key properties of 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide?
3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide has a molecular weight of 432.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide is sourced from PubChem (CID 159369422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).