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

C25H20N4O5S — CID 58053595

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

(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053595) has the molecular formula C25H20N4O5S and a molecular weight of 488.53 g/mol. Its IUPAC name is (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 58053595
• Molecular Formula: C25H20N4O5S
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.12
• IUPAC Name: (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Cc5nccs5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C25H20N4O5S/c1-33-16-4-2-14-12-29(23(31)17(14)9-16)13-25(11-21(30)28-24(25)32)20-10-18-19(34-20)5-3-15(27-18)8-22-26-6-7-35-22/h2-7,9-10H,8,11-13H2,1H3,(H,28,30,32)/t25-/m1/s1
• InChIKey: YVJPJPXTDMBWKV-RUZDIDTESA-N
• XLogP: 2.82
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
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-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053595) is (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Cc5nccs5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is YVJPJPXTDMBWKV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20N4O5S/c1-33-16-4-2-14-12-29(23(31)17(14)9-16)13-25(11-21(30)28-24(25)32)20-10-18-19(34-20)5-3-15(27-18)8-22-26-6-7-35-22/h2-7,9-10H,8,11-13H2,1H3,(H,28,30,32)/t25-/m1/s1.

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

(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 488.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3-thiazol-2-ylmethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).