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

C33H31F2N7O6 — CID 91264184

About 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 91264184) has the molecular formula C33H31F2N7O6 and a molecular weight of 659.65 g/mol. Its IUPAC name is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 91264184
• Molecular Formula: C33H31F2N7O6
• Molecular Weight: 659.65 g/mol
• Exact Mass: 659.23
• IUPAC Name: 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(C)(C)F)CC6)c5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C33H31F2N7O6/c1-32(2,35)30(45)41-12-10-40(11-13-41)25-14-18(8-9-36-25)20-5-7-22-21(37-20)15-24(48-22)33(29(44)38-31(46)39-33)17-42-16-19-4-6-23(47-3)27(34)26(19)28(42)43/h4-9,14-15H,10-13,16-17H2,1-3H3,(H2,38,39,44,46)
• InChIKey: XOUAEFGECBJIDC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 150.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.65
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 91264184) is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(C)(C)F)CC6)c5)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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is XOUAEFGECBJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N7O6/c1-32(2,35)30(45)41-12-10-40(11-13-41)25-14-18(8-9-36-25)20-5-7-22-21(37-20)15-24(48-22)33(29(44)38-31(46)39-33)17-42-16-19-4-6-23(47-3)27(34)26(19)28(42)43/h4-9,14-15H,10-13,16-17H2,1-3H3,(H2,38,39,44,46).

What are the key properties of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 659.65 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-[2-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 91264184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).