About 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 44519368) has the molecular formula C31H37FN8O
and a molecular weight of 556.69 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine.
Molecular Properties
| Compound Name | 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine |
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| PubChem CID | 44519368 |
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| Molecular Formula | C31H37FN8O |
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| Molecular Weight | 556.69 g/mol |
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| Exact Mass | 556.31 |
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| IUPAC Name | 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine |
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| SMILES | CN1CCC(N2CCN(c3cccc(-c4cnc5ccc(N6CCOCC6c6cccc(F)c6)nn45)n3)CC2)CC1 |
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| InChI | InChI=1S/C31H37FN8O/c1-36-12-10-25(11-13-36)37-14-16-38(17-15-37)30-7-3-6-26(34-30)27-21-33-29-8-9-31(35-40(27)29)39-18-19-41-22-28(39)23-4-2-5-24(32)20-23/h2-9,20-21,25,28H,10-19,22H2,1H3 |
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| InChIKey | RDORJVGPDDXLPB-UHFFFAOYSA-N |
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| XLogP | 3.72 |
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| TPSA | 65.27 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 556.69 |
| LogP ≤ 5 | 3.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?
The IUPAC name of 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 44519368) is 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine is CN1CCC(N2CCN(c3cccc(-c4cnc5ccc(N6CCOCC6c6cccc(F)c6)nn45)n3)CC2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?
The InChIKey is RDORJVGPDDXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN8O/c1-36-12-10-25(11-13-36)37-14-16-38(17-15-37)30-7-3-6-26(34-30)27-21-33-29-8-9-31(35-40(27)29)39-18-19-41-22-28(39)23-4-2-5-24(32)20-23/h2-9,20-21,25,28H,10-19,22H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine?
3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 556.69 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[3-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 44519368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).