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

C26H23FN6O5 — CID 77403770

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

5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 77403770) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 77403770
• Molecular Formula: C26H23FN6O5
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.17
• IUPAC Name: 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C26H23FN6O5/c1-12-20(13(2)32(3)31-12)15-6-8-17-16(28-15)9-19(38-17)26(24(35)29-25(36)30-26)11-33-10-14-5-7-18(37-4)22(27)21(14)23(33)34/h5-9H,10-11H2,1-4H3,(H2,29,30,35,36)
• InChIKey: STCNNJBOAAZGJA-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 131.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	2.68
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-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 77403770) is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is STCNNJBOAAZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5/c1-12-20(13(2)32(3)31-12)15-6-8-17-16(28-15)9-19(38-17)26(24(35)29-25(36)30-26)11-33-10-14-5-7-18(37-4)22(27)21(14)23(33)34/h5-9H,10-11H2,1-4H3,(H2,29,30,35,36).

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

5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 518.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 77403770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).