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

C24H18N4O4 — CID 146404031

IUPAC8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1
InChIInChI=1S/C24H18N4O4/c29-24-21(14-19-10-5-11-32-19)26-23-20(12-16-6-2-1-3-7-16)25-22(15-27(23)24)17-8-4-9-18(13-17)28(30)31/h1-11,13,15,29H,12,14H2
InChIKeyDHRNVRFQKXYLRI-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.78
Rot. Bonds6

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

8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404031) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404031
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1
InChIInChI=1S/C24H18N4O4/c29-24-21(14-19-10-5-11-32-19)26-23-20(12-16-6-2-1-3-7-16)25-22(15-27(23)24)17-8-4-9-18(13-17)28(30)31/h1-11,13,15,29H,12,14H2
InChIKeyDHRNVRFQKXYLRI-UHFFFAOYSA-N
XLogP4.78
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.78
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[8-benzyl-2-(furan-2-ylmethyl)-3-hydroxyimidazo[1,2-a]pyrazin-6-yl]benzoate
CID 137316658
8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 161257499
6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 146404025
2-(furan-2-ylmethyl)-6-phenyl-8-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285364
8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285354
6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)
CID 157190803
8-benzyl-2-butyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-(furan-2-ylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-propylimidazo[1,2-a]pyrazin-3-ol
CID 162020671
2-(furan-2-ylmethyl)-6-phenyl-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285355
8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137230845
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 134443756
8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803924
8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136879455

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404031) is 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol is O=[N+]([O-])c1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1.
What is the InChIKey of 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is DHRNVRFQKXYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-24-21(14-19-10-5-11-32-19)26-23-20(12-16-6-2-1-3-7-16)25-22(15-27(23)24)17-8-4-9-18(13-17)28(30)31/h1-11,13,15,29H,12,14H2.
What are the key properties of 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 426.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).