(3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C21H15F2N3O5 — CID 58053778

About (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053778) has the molecular formula C21H15F2N3O5 and a molecular weight of 427.36 g/mol. Its IUPAC name is (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 58053778
• Molecular Formula: C21H15F2N3O5
• Molecular Weight: 427.36 g/mol
• Exact Mass: 427.10
• IUPAC Name: (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C21H15F2N3O5/c1-30-13-3-2-10-8-26(19(28)17(10)18(13)23)9-21(6-16(27)25-20(21)29)15-5-12-14(31-15)4-11(22)7-24-12/h2-5,7H,6,8-9H2,1H3,(H,25,27,29)/t21-/m1/s1
• InChIKey: KGYVJINECRLGBH-OAQYLSRUSA-N
• XLogP: 2.05
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.36
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053778) is (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The InChIKey is KGYVJINECRLGBH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15F2N3O5/c1-30-13-3-2-10-8-26(19(28)17(10)18(13)23)9-21(6-16(27)25-20(21)29)15-5-12-14(31-15)4-11(22)7-24-12/h2-5,7H,6,8-9H2,1H3,(H,25,27,29)/t21-/m1/s1.

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

(3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 427.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(6-fluorofuro[3,2-b]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).