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

C23H20N2O6 — CID 2951249

IUPAC2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C23H20N2O6/c1-29-15-7-8-17(30-2)16(11-15)20-19(21(26)18-6-4-10-31-18)22(27)23(28)25(20)13-14-5-3-9-24-12-14/h3-12,20,27H,13H2,1-2H3
InChIKeyGFBWSSKAYMIFBC-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.47
Rot. Bonds7

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

2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 2951249) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID2951249
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C23H20N2O6/c1-29-15-7-8-17(30-2)16(11-15)20-19(21(26)18-6-4-10-31-18)22(27)23(28)25(20)13-14-5-3-9-24-12-14/h3-12,20,27H,13H2,1-2H3
InChIKeyGFBWSSKAYMIFBC-UHFFFAOYSA-N
XLogP3.47
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 2951249) is 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is GFBWSSKAYMIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-29-15-7-8-17(30-2)16(11-15)20-19(21(26)18-6-4-10-31-18)22(27)23(28)25(20)13-14-5-3-9-24-12-14/h3-12,20,27H,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 420.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2951249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).