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

C24H16F2N4O4 — CID 146404027

IUPAC6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F
InChIInChI=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
InChIKeyOIKJMRYSMCLWRS-UHFFFAOYSA-N
MW462.41 g/mol
LogP5.06
Rot. Bonds6

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 Name6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404027
Molecular FormulaC24H16F2N4O4
Molecular Weight462.41 g/mol
Exact Mass462.11
IUPAC Name6-(2-fluoro-3-nitrophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F
InChIInChI=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
InChIKeyOIKJMRYSMCLWRS-UHFFFAOYSA-N
XLogP5.06
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).