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

C26H20FN5O5 — CID 58053237

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

(3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053237) has the molecular formula C26H20FN5O5 and a molecular weight of 501.47 g/mol. Its IUPAC name is (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 58053237
• Molecular Formula: C26H20FN5O5
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.14
• IUPAC Name: (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Nc5cncc(F)c5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C26H20FN5O5/c1-36-17-3-2-14-12-32(24(34)18(14)7-17)13-26(9-23(33)31-25(26)35)21-8-19-20(37-21)4-5-22(30-19)29-16-6-15(27)10-28-11-16/h2-8,10-11H,9,12-13H2,1H3,(H,29,30)(H,31,33,35)/t26-/m1/s1
• InChIKey: IBVLSVYTEFXJOO-AREMUKBSSA-N
• XLogP: 3.05
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053237) is (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Nc5cncc(F)c5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is IBVLSVYTEFXJOO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H20FN5O5/c1-36-17-3-2-14-12-32(24(34)18(14)7-17)13-26(9-23(33)31-25(26)35)21-8-19-20(37-21)4-5-22(30-19)29-16-6-15(27)10-28-11-16/h2-8,10-11H,9,12-13H2,1H3,(H,29,30)(H,31,33,35)/t26-/m1/s1.

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

(3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 501.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).