6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C24H16F2N4O4 — CID 146404027

About 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404027) has the molecular formula C24H16F2N4O4 and a molecular weight of 462.41 g/mol. Its IUPAC name is 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 146404027
• Molecular Formula: C24H16F2N4O4
• Molecular Weight: 462.41 g/mol
• Exact Mass: 462.11
• IUPAC Name: 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: O=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F
• InChI: InChI=1S/C24H16F2N4O4/c25-17-8-2-1-5-14(17)11-18-23-28-19(12-15-6-4-10-34-15)24(31)29(23)13-20(27-18)16-7-3-9-21(22(16)26)30(32)33/h1-10,13,31H,11-12H2
• InChIKey: OIKJMRYSMCLWRS-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 106.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.41
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404027) is 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is O=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F.

What is the InChIKey of 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is OIKJMRYSMCLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O4/c25-17-8-2-1-5-14(17)11-18-23-28-19(12-15-6-4-10-34-15)24(31)29(23)13-20(27-18)16-7-3-9-21(22(16)26)30(32)33/h1-10,13,31H,11-12H2.

What are the key properties of 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 462.41 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).