4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one

C26H26N2O5S — CID 58365246

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one
SMILESCOCCOc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C26H26N2O5S/c1-16(2)23(29)21-22(19-6-4-12-27-25(19)33-14-13-32-3)28(26(31)24(21)30)18-10-8-17(9-11-18)20-7-5-15-34-20/h4-12,15-16,22,30H,13-14H2,1-3H3
InChIKeyFPEWJDWJMNDHIY-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.96
Rot. Bonds9

About 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one

4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 58365246) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID58365246
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one
SMILESCOCCOc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C26H26N2O5S/c1-16(2)23(29)21-22(19-6-4-12-27-25(19)33-14-13-32-3)28(26(31)24(21)30)18-10-8-17(9-11-18)20-7-5-15-34-20/h4-12,15-16,22,30H,13-14H2,1-3H3
InChIKeyFPEWJDWJMNDHIY-UHFFFAOYSA-N
XLogP4.96
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one (CID 58365246) is 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one is COCCOc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is FPEWJDWJMNDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-16(2)23(29)21-22(19-6-4-12-27-25(19)33-14-13-32-3)28(26(31)24(21)30)18-10-8-17(9-11-18)20-7-5-15-34-20/h4-12,15-16,22,30H,13-14H2,1-3H3.
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 478.57 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-1-(4-thiophen-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).