5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H18F2N6O5 — CID 58053772

About 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053772) has the molecular formula C25H18F2N6O5 and a molecular weight of 520.45 g/mol. Its IUPAC name is 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 58053772
• Molecular Formula: C25H18F2N6O5
• Molecular Weight: 520.45 g/mol
• Exact Mass: 520.13
• IUPAC Name: 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H18F2N6O5/c1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11/h2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36)
• InChIKey: YNWOIRGKXNDUQM-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 152.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.45
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
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-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053772) is 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is YNWOIRGKXNDUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N6O5/c1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11/h2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36).

What are the key properties of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 520.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).