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

C25H24N2O5 — CID 108631117

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

1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108631117) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
• PubChem CID: 108631117
• Molecular Formula: C25H24N2O5
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.17
• IUPAC Name: 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)C3c3cccnc3)oc12
• InChI: InChI=1S/C25H24N2O5/c1-31-18-11-5-7-15-13-19(32-24(15)18)22(28)20-21(16-8-6-12-26-14-16)27(25(30)23(20)29)17-9-3-2-4-10-17/h5-8,11-14,17,21,29H,2-4,9-10H2,1H3
• InChIKey: PWVAGZCWOKTTJT-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108631117) is 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

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

The canonical SMILES for 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)C3c3cccnc3)oc12.

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

The InChIKey is PWVAGZCWOKTTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-31-18-11-5-7-15-13-19(32-24(15)18)22(28)20-21(16-8-6-12-26-14-16)27(25(30)23(20)29)17-9-3-2-4-10-17/h5-8,11-14,17,21,29H,2-4,9-10H2,1H3.

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

1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 432.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108631117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).