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

C24H17FN4O4 — CID 146404016

IUPAC8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H17FN4O4/c25-22-17(9-4-10-21(22)29(31)32)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-33-16/h1-11,14,30H,12-13H2
InChIKeyDYHTWILZTUSSJW-UHFFFAOYSA-N
MW444.42 g/mol
LogP4.92
Rot. Bonds6

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

8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404016) has the molecular formula C24H17FN4O4 and a molecular weight of 444.42 g/mol. Its IUPAC name is 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404016
Molecular FormulaC24H17FN4O4
Molecular Weight444.42 g/mol
Exact Mass444.12
IUPAC Name8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H17FN4O4/c25-22-17(9-4-10-21(22)29(31)32)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-33-16/h1-11,14,30H,12-13H2
InChIKeyDYHTWILZTUSSJW-UHFFFAOYSA-N
XLogP4.92
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 54.92
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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Related Compounds

3-(4-Fluorophenyl)-7-(furan-2-yl)imidazo[1,2-a]pyridine
CID 118733895
8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
6-(3-amino-2-fluorophenyl)-8-((2-fluorophenyl)methyl)-2-((furan-2-yl)methyl)-3H,7H-imidazo(1,2-a)pyrazin-3-one
CID 146403983
2-(2-furyl)-N-{[5-(4-nitrophenyl)-2-furyl]methylene}imidazo[1,2-a]pyridin-3-amine
CID 9566507
Hydrofurimazine
CID 137285375
8-benzyl-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 137314688
NanoLuc substrate 1
CID 146404021
NanoLuc substrate 2
CID 146404025
6-(2-Fluoro-3-nitrophenyl)-8-(2-fluorobenzyl)-2-(furan-2-ylmethyl)imidazo[1,2-A]pyrazin-3(7H)-one
CID 146404027
8-Benzyl-6-(3-((t-butyldimethylsilyl)oxy)-2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo(1,2-a)pyrazin-3(7h)-one
CID 146673720
6-(2,3-difluorophenyl)-8-(2-fluorobenzyl)-2-((5-methylfuran-2-yl)methyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607090
8-benzyl-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607091

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404016) is 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is O=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F.
What is the InChIKey of 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is DYHTWILZTUSSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O4/c25-22-17(9-4-10-21(22)29(31)32)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-33-16/h1-11,14,30H,12-13H2.
What are the key properties of 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 444.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(2-fluoro-3-nitrophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).