3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one

C25H24N2O5 — CID 58365481

IUPAC3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one
SMILESCOc1ncccc1C1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C25H24N2O5/c1-25(2,3)22(29)19-20(18-6-5-12-26-23(18)31-4)27(24(30)21(19)28)17-9-7-15(8-10-17)16-11-13-32-14-16/h5-14,20,28H,1-4H3
InChIKeyCNECRWIIDYMLCR-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.87
Rot. Bonds5

About 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one (PubChem CID 58365481) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one
PubChem CID58365481
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one
SMILESCOc1ncccc1C1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C25H24N2O5/c1-25(2,3)22(29)19-20(18-6-5-12-26-23(18)31-4)27(24(30)21(19)28)17-9-7-15(8-10-17)16-11-13-32-14-16/h5-14,20,28H,1-4H3
InChIKeyCNECRWIIDYMLCR-UHFFFAOYSA-N
XLogP4.87
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 58365710
3-(2,2-dimethylpropanoyl)-1-[4-(furan-2-yl)phenyl]-4-hydroxy-2-[2-(2-hydroxyethoxy)-3-pyridinyl]-2H-pyrrol-5-one
CID 58366003
4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365608
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(methoxymethyl)-3-pyridinyl]-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365849
4-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-5-[2-(2-hydroxyethoxy)-3-pyridinyl]pyrrolidine-2,3-dione
CID 91808309
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-hydroxy-2-methylpropyl)-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one
CID 143963013
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(methoxymethyl)phenyl]-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58045348
methyl 2-[2-[3-(2,2-dimethylpropanoyl)-4-hydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-5-oxo-2H-pyrrol-2-yl]phenoxy]acetate
CID 58365321
4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(3-methylbutanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365900
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 58365829
1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108588942

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one (CID 58365481) is 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one is COc1ncccc1C1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one?
The InChIKey is CNECRWIIDYMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-25(2,3)22(29)19-20(18-6-5-12-26-23(18)31-4)27(24(30)21(19)28)17-9-7-15(8-10-17)16-11-13-32-14-16/h5-14,20,28H,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one has a molecular weight of 432.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-(2-methoxy-3-pyridinyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).