About N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 175761379) has the molecular formula C22H25F2N7O3
and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
Molecular Properties
| Compound Name | N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide |
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| PubChem CID | 175761379 |
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| Molecular Formula | C22H25F2N7O3 |
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| Molecular Weight | 473.48 g/mol |
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| Exact Mass | 473.20 |
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| IUPAC Name | N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide |
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| SMILES | O=CC1CCC(n2cc(NC(=O)c3cnc4ccc(N5CCOCC5)nn34)c(C(F)F)n2)CC1 |
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| InChI | InChI=1S/C22H25F2N7O3/c23-21(24)20-16(12-30(28-20)15-3-1-14(13-32)2-4-15)26-22(33)17-11-25-18-5-6-19(27-31(17)18)29-7-9-34-10-8-29/h5-6,11-15,21H,1-4,7-10H2,(H,26,33) |
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| InChIKey | VWACBTSKVHYSDN-UHFFFAOYSA-N |
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| XLogP | 2.88 |
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| TPSA | 106.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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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 | 473.48 |
| LogP ≤ 5 | 2.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 175761379) is N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is O=CC1CCC(n2cc(NC(=O)c3cnc4ccc(N5CCOCC5)nn34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VWACBTSKVHYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O3/c23-21(24)20-16(12-30(28-20)15-3-1-14(13-32)2-4-15)26-22(33)17-11-25-18-5-6-19(27-31(17)18)29-7-9-34-10-8-29/h5-6,11-15,21H,1-4,7-10H2,(H,26,33).
What are the key properties of N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 175761379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).