3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one

C24H24N2O5 — CID 16763490

IUPAC3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)C3c3ccccc3OC)c2c1
InChIInChI=1S/C24H24N2O5/c1-14(27)21-22(17-6-4-5-7-20(17)31-3)26(24(29)23(21)28)11-10-15-13-25-19-9-8-16(30-2)12-18(15)19/h4-9,12-13,22,25,28H,10-11H2,1-3H3
InChIKeyWCOGBNLQZROZFX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.71
Rot. Bonds7

About 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 16763490) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID16763490
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)C3c3ccccc3OC)c2c1
InChIInChI=1S/C24H24N2O5/c1-14(27)21-22(17-6-4-5-7-20(17)31-3)26(24(29)23(21)28)11-10-15-13-25-19-9-8-16(30-2)12-18(15)19/h4-9,12-13,22,25,28H,10-11H2,1-3H3
InChIKeyWCOGBNLQZROZFX-UHFFFAOYSA-N
XLogP3.71
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one (CID 16763490) is 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)C3c3ccccc3OC)c2c1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WCOGBNLQZROZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14(27)21-22(17-6-4-5-7-20(17)31-3)26(24(29)23(21)28)11-10-15-13-25-19-9-8-16(30-2)12-18(15)19/h4-9,12-13,22,25,28H,10-11H2,1-3H3.
What are the key properties of 3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 420.47 g/mol, XLogP of 3.71, 7 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-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 16763490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).