3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

C24H22N2O5 — CID 3154080

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C24H22N2O5/c1-2-12-30-18-6-3-5-17(14-18)21-20(22(27)19-7-4-13-31-19)23(28)24(29)26(21)15-16-8-10-25-11-9-16/h3-11,13-14,21,28H,2,12,15H2,1H3
InChIKeyGCGXEURJFYTODY-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.24
Rot. Bonds8

About 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3154080) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID3154080
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C24H22N2O5/c1-2-12-30-18-6-3-5-17(14-18)21-20(22(27)19-7-4-13-31-19)23(28)24(29)26(21)15-16-8-10-25-11-9-16/h3-11,13-14,21,28H,2,12,15H2,1H3
InChIKeyGCGXEURJFYTODY-UHFFFAOYSA-N
XLogP4.24
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664504
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 7274639
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 40863482
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 40860621
2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3393555
2-(4-butoxy-3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3399583
(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305294
(2R)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 28798406
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6996751
2-(3-butoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3263633
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
(2S)-2-(3-butoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 9498438

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 3154080) is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CCCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is GCGXEURJFYTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-12-30-18-6-3-5-17(14-18)21-20(22(27)19-7-4-13-31-19)23(28)24(29)26(21)15-16-8-10-25-11-9-16/h3-11,13-14,21,28H,2,12,15H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 418.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3154080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).