About [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
[8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 121426270) has the molecular formula C24H29F3N6O2
and a molecular weight of 490.53 g/mol. Its IUPAC name is [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.
Molecular Properties
| Compound Name | [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol |
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| PubChem CID | 121426270 |
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| Molecular Formula | C24H29F3N6O2 |
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| Molecular Weight | 490.53 g/mol |
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| Exact Mass | 490.23 |
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| IUPAC Name | [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol |
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| SMILES | Nc1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C3CCNCC3)c(CO)nc12 |
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| InChI | InChI=1S/C24H29F3N6O2/c25-24(26,27)17-3-1-2-16(22(17)15-4-6-29-7-5-15)12-20-19(14-34)30-23-18(28)13-21(31-33(20)23)32-8-10-35-11-9-32/h1-3,13,15,29,34H,4-12,14,28H2 |
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| InChIKey | CGSZPAWIQOVCHD-UHFFFAOYSA-N |
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| XLogP | 2.72 |
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| TPSA | 100.94 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 490.53 |
| LogP ≤ 5 | 2.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (CID 121426270) is [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is Nc1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C3CCNCC3)c(CO)nc12.
What is the InChIKey of [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is CGSZPAWIQOVCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c25-24(26,27)17-3-1-2-16(22(17)15-4-6-29-7-5-15)12-20-19(14-34)30-23-18(28)13-21(31-33(20)23)32-8-10-35-11-9-32/h1-3,13,15,29,34H,4-12,14,28H2.
What are the key properties of [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
[8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 490.53 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 121426270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).