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

C26H25N3O7 — CID 58053206

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

(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053206) has the molecular formula C26H25N3O7 and a molecular weight of 491.50 g/mol. Its IUPAC name is (3R)-3-[6-(4-methoxybutanoyl)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-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 58053206
• Molecular Formula: C26H25N3O7
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.17
• IUPAC Name: (3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)oc2c1
• InChI: InChI=1S/C26H25N3O7/c1-34-7-3-4-20(30)16-8-21-19(27-12-16)10-22(36-21)26(11-23(31)28-25(26)33)14-29-13-15-5-6-17(35-2)9-18(15)24(29)32/h5-6,8-10,12H,3-4,7,11,13-14H2,1-2H3,(H,28,31,33)/t26-/m1/s1
• InChIKey: OTEJKKYHRGSPCT-AREMUKBSSA-N
• XLogP: 2.39
• TPSA: 128.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(4-methoxybutanoyl)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-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053206) is (3R)-3-[6-(4-methoxybutanoyl)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-[6-(4-methoxybutanoyl)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-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)oc2c1.

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

The InChIKey is OTEJKKYHRGSPCT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N3O7/c1-34-7-3-4-20(30)16-8-21-19(27-12-16)10-22(36-21)26(11-23(31)28-25(26)33)14-29-13-15-5-6-17(35-2)9-18(15)24(29)32/h5-6,8-10,12H,3-4,7,11,13-14H2,1-2H3,(H,28,31,33)/t26-/m1/s1.

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

(3R)-3-[6-(4-methoxybutanoyl)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 491.50 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-(4-methoxybutanoyl)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 58053206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).