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

C26H23FN4O6 — CID 58053246

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053246) has the molecular formula C26H23FN4O6 and a molecular weight of 506.49 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 58053246
• Molecular Formula: C26H23FN4O6
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.16
• IUPAC Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5CCNC(=O)C5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C26H23FN4O6/c1-36-18-4-2-14-11-31(24(34)22(14)23(18)27)12-26(10-21(33)30-25(26)35)19-9-16-17(37-19)5-3-15(29-16)13-6-7-28-20(32)8-13/h2-5,9,13H,6-8,10-12H2,1H3,(H,28,32)(H,30,33,35)/t13?,26-/m1/s1
• InChIKey: JCPROZVGDPOOBV-UCQXDYELSA-N
• XLogP: 1.91
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053246) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5CCNC(=O)C5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is JCPROZVGDPOOBV-UCQXDYELSA-N. The full InChI is InChI=1S/C26H23FN4O6/c1-36-18-4-2-14-11-31(24(34)22(14)23(18)27)12-26(10-21(33)30-25(26)35)19-9-16-17(37-19)5-3-15(29-16)13-6-7-28-20(32)8-13/h2-5,9,13H,6-8,10-12H2,1H3,(H,28,32)(H,30,33,35)/t13?,26-/m1/s1.

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 506.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopiperidin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).