About 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol (PubChem CID 121426272) has the molecular formula C25H32F3N7O2
and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol.
Molecular Properties
| Compound Name | 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol |
|---|
| PubChem CID | 121426272 |
|---|
| Molecular Formula | C25H32F3N7O2 |
|---|
| Molecular Weight | 519.57 g/mol |
|---|
| Exact Mass | 519.26 |
|---|
| IUPAC Name | 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol |
|---|
| SMILES | Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C1CCN(CCO)CC1 |
|---|
| InChI | InChI=1S/C25H32F3N7O2/c1-16-23(35-24(30-16)19(29)15-21(32-35)34-10-13-37-14-11-34)31-20-4-2-3-18(25(26,27)28)22(20)17-5-7-33(8-6-17)9-12-36/h2-4,15,17,31,36H,5-14,29H2,1H3 |
|---|
| InChIKey | YGOCIULVJCNSGD-UHFFFAOYSA-N |
|---|
| XLogP | 3.39 |
|---|
| TPSA | 104.18 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 519.57 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol 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-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol (CID 121426272) is 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The InChIKey is YGOCIULVJCNSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N7O2/c1-16-23(35-24(30-16)19(29)15-21(32-35)34-10-13-37-14-11-34)31-20-4-2-3-18(25(26,27)28)22(20)17-5-7-33(8-6-17)9-12-36/h2-4,15,17,31,36H,5-14,29H2,1H3.
What are the key properties of 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol has a molecular weight of 519.57 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 121426272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).