About 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline
8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline (PubChem CID 83277110) has the molecular formula C34H30FN5O2S
and a molecular weight of 591.71 g/mol. Its IUPAC name is 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline.
Molecular Properties
| Compound Name | 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline |
|---|
| PubChem CID | 83277110 |
|---|
| Molecular Formula | C34H30FN5O2S |
|---|
| Molecular Weight | 591.71 g/mol |
|---|
| Exact Mass | 591.21 |
|---|
| IUPAC Name | 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline |
|---|
| SMILES | Cc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(S(=O)(=O)c5cccc6cccnc56)CC4)n3c2)c1 |
|---|
| InChI | InChI=1S/C34H30FN5O2S/c1-24-5-2-7-27(21-24)28-12-15-32-37-33(26-10-13-29(35)14-11-26)30(40(32)22-28)23-38-17-19-39(20-18-38)43(41,42)31-9-3-6-25-8-4-16-36-34(25)31/h2-16,21-22H,17-20,23H2,1H3 |
|---|
| InChIKey | OHDZLDQUFJSVLS-UHFFFAOYSA-N |
|---|
| XLogP | 6.17 |
|---|
| TPSA | 70.81 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 591.71 |
| LogP ≤ 5 | 6.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline 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 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline (CID 83277110) is 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline is Cc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(S(=O)(=O)c5cccc6cccnc56)CC4)n3c2)c1.
What is the InChIKey of 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is OHDZLDQUFJSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN5O2S/c1-24-5-2-7-27(21-24)28-12-15-32-37-33(26-10-13-29(35)14-11-26)30(40(32)22-28)23-38-17-19-39(20-18-38)43(41,42)31-9-3-6-25-8-4-16-36-34(25)31/h2-16,21-22H,17-20,23H2,1H3.
What are the key properties of 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline?
8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 591.71 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 83277110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).