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

C24H17BrN2O5 — CID 108660093

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

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108660093) has the molecular formula C24H17BrN2O5 and a molecular weight of 493.31 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108660093
• Molecular Formula: C24H17BrN2O5
• Molecular Weight: 493.31 g/mol
• Exact Mass: 492.03
• IUPAC Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
• SMILES: Cc1ccc(C2C(C(=O)c3cc4cc(Br)ccc4o3)=C(O)C(=O)N2Cc2cccnc2)o1
• InChI: InChI=1S/C24H17BrN2O5/c1-13-4-6-18(31-13)21-20(22(28)19-10-15-9-16(25)5-7-17(15)32-19)23(29)24(30)27(21)12-14-3-2-8-26-11-14/h2-11,21,29H,12H2,1H3
• InChIKey: UIRNRLOCRGJOHX-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 96.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.31
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 108660093) is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cc4cc(Br)ccc4o3)=C(O)C(=O)N2Cc2cccnc2)o1.

What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

The InChIKey is UIRNRLOCRGJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O5/c1-13-4-6-18(31-13)21-20(22(28)19-10-15-9-16(25)5-7-17(15)32-19)23(29)24(30)27(21)12-14-3-2-8-26-11-14/h2-11,21,29H,12H2,1H3.

What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 493.31 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108660093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).