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

C28H21N3O5 — CID 108604410

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

4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108604410) has the molecular formula C28H21N3O5 and a molecular weight of 479.49 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108604410
• Molecular Formula: C28H21N3O5
• Molecular Weight: 479.49 g/mol
• Exact Mass: 479.15
• IUPAC Name: 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)C3c3c[nH]c4ccccc34)oc12
• InChI: InChI=1S/C28H21N3O5/c1-35-21-8-4-5-17-13-22(36-27(17)21)25(32)23-24(19-14-30-20-7-3-2-6-18(19)20)31(28(34)26(23)33)15-16-9-11-29-12-10-16/h2-14,24,30,33H,15H2,1H3
• InChIKey: LGLCRCVOZHGSQT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 108.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 108604410) is 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)C3c3c[nH]c4ccccc34)oc12.

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

The InChIKey is LGLCRCVOZHGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O5/c1-35-21-8-4-5-17-13-22(36-27(17)21)25(32)23-24(19-14-30-20-7-3-2-6-18(19)20)31(28(34)26(23)33)15-16-9-11-29-12-10-16/h2-14,24,30,33H,15H2,1H3.

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

4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 479.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).