5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

C20H15FN4O5 — CID 76679922

About 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 76679922) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
• PubChem CID: 76679922
• Molecular Formula: C20H15FN4O5
• Molecular Weight: 410.36 g/mol
• Exact Mass: 410.10
• IUPAC Name: 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
• SMILES: COc1cc2c(cc1F)CN(CC1(c3cc4cnccc4o3)NC(=O)NC1=O)C2=O
• InChI: InChI=1S/C20H15FN4O5/c1-29-15-6-12-11(4-13(15)21)8-25(17(12)26)9-20(18(27)23-19(28)24-20)16-5-10-7-22-3-2-14(10)30-16/h2-7H,8-9H2,1H3,(H2,23,24,27,28)
• InChIKey: VCUMEFQJKYUKFV-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.36
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The IUPAC name of 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (CID 76679922) is 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is COc1cc2c(cc1F)CN(CC1(c3cc4cnccc4o3)NC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The InChIKey is VCUMEFQJKYUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O5/c1-29-15-6-12-11(4-13(15)21)8-25(17(12)26)9-20(18(27)23-19(28)24-20)16-5-10-7-22-3-2-14(10)30-16/h2-7H,8-9H2,1H3,(H2,23,24,27,28).

What are the key properties of 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 410.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 76679922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).