About N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide
N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 118235611) has the molecular formula C23H22F2N4O5S2
and a molecular weight of 536.58 g/mol. Its IUPAC name is N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide.
Molecular Properties
| Compound Name | N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide |
|---|
| PubChem CID | 118235611 |
|---|
| Molecular Formula | C23H22F2N4O5S2 |
|---|
| Molecular Weight | 536.58 g/mol |
|---|
| Exact Mass | 536.10 |
|---|
| IUPAC Name | N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide |
|---|
| SMILES | Cc1nc2ccc(-c3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cn3)cn2c1Cc1ccccc1OC(F)F |
|---|
| InChI | InChI=1S/C23H22F2N4O5S2/c1-15-20(12-16-6-4-5-7-21(16)34-23(24)25)28-14-17(8-11-22(28)27-15)19-10-9-18(13-26-19)29(35(2,30)31)36(3,32)33/h4-11,13-14,23H,12H2,1-3H3 |
|---|
| InChIKey | ZPWFSYNCWZYZSW-UHFFFAOYSA-N |
|---|
| XLogP | 3.62 |
|---|
| TPSA | 110.94 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 536.58 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide 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 N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide (CID 118235611) is N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide is Cc1nc2ccc(-c3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cn3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is ZPWFSYNCWZYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O5S2/c1-15-20(12-16-6-4-5-7-21(16)34-23(24)25)28-14-17(8-11-22(28)27-15)19-10-9-18(13-26-19)29(35(2,30)31)36(3,32)33/h4-11,13-14,23H,12H2,1-3H3.
What are the key properties of N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide?
N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 536.58 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 118235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).