4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

C28H28N2O6 — CID 108702467

IUPAC4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C28H28N2O6/c1-34-22-15-19(16-23(35-2)27(22)36-3)25-24(21(31)13-12-18-9-5-4-6-10-18)26(32)28(33)30(25)17-20-11-7-8-14-29-20/h4-11,14-16,25,32H,12-13,17H2,1-3H3
InChIKeyLDKQRPDYIBMWNY-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.20
Rot. Bonds10

About 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108702467) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID108702467
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C28H28N2O6/c1-34-22-15-19(16-23(35-2)27(22)36-3)25-24(21(31)13-12-18-9-5-4-6-10-18)26(32)28(33)30(25)17-20-11-7-8-14-29-20/h4-11,14-16,25,32H,12-13,17H2,1-3H3
InChIKeyLDKQRPDYIBMWNY-UHFFFAOYSA-N
XLogP4.20
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-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

Related Compounds

4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702453
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108647903
4-hydroxy-3-(3-phenylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702805
4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590352
(2R)-1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 981020
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177
4-hydroxy-2-phenyl-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639985
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108590960
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108699806
1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3599962
4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702520

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (CID 108702467) is 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is LDKQRPDYIBMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-34-22-15-19(16-23(35-2)27(22)36-3)25-24(21(31)13-12-18-9-5-4-6-10-18)26(32)28(33)30(25)17-20-11-7-8-14-29-20/h4-11,14-16,25,32H,12-13,17H2,1-3H3.
What are the key properties of 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 488.54 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108702467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).