About 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146226131) has the molecular formula C32H31FN6O3
and a molecular weight of 566.64 g/mol. Its IUPAC name is 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.
Molecular Properties
| Compound Name | 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol |
|---|
| PubChem CID | 146226131 |
|---|
| Molecular Formula | C32H31FN6O3 |
|---|
| Molecular Weight | 566.64 g/mol |
|---|
| Exact Mass | 566.24 |
|---|
| IUPAC Name | 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol |
|---|
| SMILES | [N-]=[N+]=NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1F |
|---|
| InChI | InChI=1S/C32H31FN6O3/c33-26-18-23(10-15-30(26)42-17-7-2-1-6-16-35-38-34)20-28-32(41)39-21-29(24-11-13-25(40)14-12-24)36-27(31(39)37-28)19-22-8-4-3-5-9-22/h3-5,8-15,18,21,40-41H,1-2,6-7,16-17,19-20H2 |
|---|
| InChIKey | DSVUYDNPPBMDHA-UHFFFAOYSA-N |
|---|
| XLogP | 7.38 |
|---|
| TPSA | 128.64 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 13 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 566.64 |
| LogP ≤ 5 | 7.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
|---|
Analyze 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)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
Frequently Asked Questions
What is the IUPAC name of 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 146226131) is 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is [N-]=[N+]=NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1F.
What is the InChIKey of 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is DSVUYDNPPBMDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O3/c33-26-18-23(10-15-30(26)42-17-7-2-1-6-16-35-38-34)20-28-32(41)39-21-29(24-11-13-25(40)14-12-24)36-27(31(39)37-28)19-22-8-4-3-5-9-22/h3-5,8-15,18,21,40-41H,1-2,6-7,16-17,19-20H2.
What are the key properties of 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 566.64 g/mol, XLogP of 7.38, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-azidohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146226131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).