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

C25H22N2O4 — CID 108647903

IUPAC4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(O)c1
InChIInChI=1S/C25H22N2O4/c28-20-11-6-9-18(15-20)23-22(21(29)13-12-17-7-2-1-3-8-17)24(30)25(31)27(23)16-19-10-4-5-14-26-19/h1-11,14-15,23,28,30H,12-13,16H2
InChIKeyODKOGSNLIYRQPC-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.88
Rot. Bonds7

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

4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108647903) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108647903
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(O)c1
InChIInChI=1S/C25H22N2O4/c28-20-11-6-9-18(15-20)23-22(21(29)13-12-17-7-2-1-3-8-17)24(30)25(31)27(23)16-19-10-4-5-14-26-19/h1-11,14-15,23,28,30H,12-13,16H2
InChIKeyODKOGSNLIYRQPC-UHFFFAOYSA-N
XLogP3.88
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702467
4-hydroxy-2-phenyl-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639985
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108712267
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108681764
4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590352
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108618307
4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692452
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108619419

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108647903) is 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(O)c1.
What is the InChIKey of 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is ODKOGSNLIYRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-20-11-6-9-18(15-20)23-22(21(29)13-12-17-7-2-1-3-8-17)24(30)25(31)27(23)16-19-10-4-5-14-26-19/h1-11,14-15,23,28,30H,12-13,16H2.
What are the key properties of 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 414.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108647903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).