4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

C25H19N3O5 — CID 108627351

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108627351) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108627351
• Molecular Formula: C25H19N3O5
• Molecular Weight: 441.44 g/mol
• Exact Mass: 441.13
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)C3c3ccccn3)oc12
• InChI: InChI=1S/C25H19N3O5/c1-32-18-10-6-7-15-13-19(33-24(15)18)22(29)20-21(17-9-3-5-12-27-17)28(25(31)23(20)30)14-16-8-2-4-11-26-16/h2-13,21,30H,14H2,1H3
• InChIKey: BCVQJINJLMVULI-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.44
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108627351) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)C3c3ccccn3)oc12.

What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?

The InChIKey is BCVQJINJLMVULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c1-32-18-10-6-7-15-13-19(33-24(15)18)22(29)20-21(17-9-3-5-12-27-17)28(25(31)23(20)30)14-16-8-2-4-11-26-16/h2-13,21,30H,14H2,1H3.

What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 441.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108627351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).