4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C23H20N2O6 — CID 652064

IUPAC4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O
InChIInChI=1S/C23H20N2O6/c1-13-5-8-17(31-13)21(27)19-20(15-6-7-16(26)18(10-15)30-2)25(23(29)22(19)28)12-14-4-3-9-24-11-14/h3-11,20,26,28H,12H2,1-2H3
InChIKeyIWCNGSLXDYOUAQ-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.48
Rot. Bonds6

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

4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 652064) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID652064
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O
InChIInChI=1S/C23H20N2O6/c1-13-5-8-17(31-13)21(27)19-20(15-6-7-16(26)18(10-15)30-2)25(23(29)22(19)28)12-14-4-3-9-24-11-14/h3-11,20,26,28H,12H2,1-2H3
InChIKeyIWCNGSLXDYOUAQ-UHFFFAOYSA-N
XLogP3.48
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3146599
{5-[(2-methoxy-4-propylphenoxy)methyl](2-furyl)}-N-(3-pyridylmethyl)carboxamid e
CID 1091781
3-Hydroxy-4-(5-methyl-2-furoyl)-5-(3-phenoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911077
5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911326
3-Hydroxy-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2913061
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 2913480
5-(3-Allyloxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 646495
CID 646794
CID 646794
5-(3-Ethoxy-phenyl)-3-hydroxy-4-(5-methyl-furan-2-carbonyl)-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 648068
5-(3-Ethoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 652592
4-(Benzo[d]furan-2-ylcarbonyl)-1-[3-(diethylamino)propyl]-3-hydroxy-5-(2-pyrid yl)-3-pyrrolin-2-one
CID 661982
1-(4-Hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 666588

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 652064) is 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O.
What is the InChIKey of 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is IWCNGSLXDYOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-13-5-8-17(31-13)21(27)19-20(15-6-7-16(26)18(10-15)30-2)25(23(29)22(19)28)12-14-4-3-9-24-11-14/h3-11,20,26,28H,12H2,1-2H3.
What are the key properties of 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 420.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 652064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).