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

C25H23N5O6 — CID 77403598

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 77403598) has the molecular formula C25H23N5O6 and a molecular weight of 489.49 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 77403598
• Molecular Formula: C25H23N5O6
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.16
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CCCCC5=O)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H23N5O6/c1-35-15-6-5-14-12-29(22(32)16(14)10-15)13-25(23(33)27-24(34)28-25)19-11-17-18(36-19)7-8-20(26-17)30-9-3-2-4-21(30)31/h5-8,10-11H,2-4,9,12-13H2,1H3,(H2,27,28,33,34)
• InChIKey: KAMRXLQABPLPOM-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 134.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 77403598) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CCCCC5=O)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is KAMRXLQABPLPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O6/c1-35-15-6-5-14-12-29(22(32)16(14)10-15)13-25(23(33)27-24(34)28-25)19-11-17-18(36-19)7-8-20(26-17)30-9-3-2-4-21(30)31/h5-8,10-11H,2-4,9,12-13H2,1H3,(H2,27,28,33,34).

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 489.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 77403598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).