About 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol (PubChem CID 121426412) has the molecular formula C26H33F3N6O3
and a molecular weight of 534.58 g/mol. Its IUPAC name is 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol.
Molecular Properties
| Compound Name | 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol |
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| PubChem CID | 121426412 |
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| Molecular Formula | C26H33F3N6O3 |
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| Molecular Weight | 534.58 g/mol |
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| Exact Mass | 534.26 |
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| IUPAC Name | 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol |
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| SMILES | Nc1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C3CCN(CCO)CC3)c(CO)nc12 |
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| InChI | InChI=1S/C26H33F3N6O3/c27-26(28,29)19-3-1-2-18(24(19)17-4-6-33(7-5-17)8-11-36)14-22-21(16-37)31-25-20(30)15-23(32-35(22)25)34-9-12-38-13-10-34/h1-3,15,17,36-37H,4-14,16,30H2 |
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| InChIKey | VROPEPIWPPXEAU-UHFFFAOYSA-N |
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| XLogP | 2.42 |
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| TPSA | 112.38 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.58 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol (CID 121426412) is 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol is Nc1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C3CCN(CCO)CC3)c(CO)nc12.
What is the InChIKey of 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
The InChIKey is VROPEPIWPPXEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c27-26(28,29)19-3-1-2-18(24(19)17-4-6-33(7-5-17)8-11-36)14-22-21(16-37)31-25-20(30)15-23(32-35(22)25)34-9-12-38-13-10-34/h1-3,15,17,36-37H,4-14,16,30H2.
What are the key properties of 2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol?
2-[4-[2-[[8-amino-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol has a molecular weight of 534.58 g/mol, XLogP of 2.42, 7 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-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 121426412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).