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

C₂₅H₂₃N₅O₇ — CID 90984578

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 90984578) has the molecular formula C₂₅H₂₃N₅O₇ and a molecular weight of 505.49 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 90984578
• Molecular Formula: C₂₅H₂₃N₅O₇
• Molecular Weight: 505.49 g/mol
• Exact Mass: 505.16
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CC(OC)CC5=O)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H23N5O7/c1-35-14-4-3-13-10-29(22(32)16(13)7-14)12-25(23(33)27-24(34)28-25)19-9-17-18(37-19)5-6-20(26-17)30-11-15(36-2)8-21(30)31/h3-7,9,15H,8,10-12H2,1-2H3,(H2,27,28,33,34)
• InChIKey: DQMLOJCNRPUYJO-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 143.31 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	505.49
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 90984578) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CC(OC)CC5=O)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is DQMLOJCNRPUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O7/c1-35-14-4-3-13-10-29(22(32)16(13)7-14)12-25(23(33)27-24(34)28-25)19-9-17-18(37-19)5-6-20(26-17)30-11-15(36-2)8-21(30)31/h3-7,9,15H,8,10-12H2,1-2H3,(H2,27,28,33,34).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-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-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 505.49 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 90984578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90984578 — identifiers, structure, computed properties (public domain)

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