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

C24H22N2O4S — CID 58365608

IUPAC4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
SMILESCOc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-14(2)21(27)19-20(18-5-4-11-25-23(18)30-3)26(24(29)22(19)28)17-8-6-15(7-9-17)16-10-12-31-13-16/h4-14,20,28H,1-3H3
InChIKeyAXVWJYYDOBJOLB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.94
Rot. Bonds6

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

4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one (PubChem CID 58365608) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
PubChem CID58365608
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
SMILESCOc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-14(2)21(27)19-20(18-5-4-11-25-23(18)30-3)26(24(29)22(19)28)17-8-6-15(7-9-17)16-10-12-31-13-16/h4-14,20,28H,1-3H3
InChIKeyAXVWJYYDOBJOLB-UHFFFAOYSA-N
XLogP4.94
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one (CID 58365608) is 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one is COc1ncccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is AXVWJYYDOBJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-14(2)21(27)19-20(18-5-4-11-25-23(18)30-3)26(24(29)22(19)28)17-8-6-15(7-9-17)16-10-12-31-13-16/h4-14,20,28H,1-3H3.
What are the key properties of 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 434.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).