About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 44519877) has the molecular formula C28H32FN7O2S
and a molecular weight of 549.68 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.
Molecular Properties
| Compound Name | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine |
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| PubChem CID | 44519877 |
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| Molecular Formula | C28H32FN7O2S |
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| Molecular Weight | 549.68 g/mol |
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| Exact Mass | 549.23 |
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| IUPAC Name | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine |
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| SMILES | CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1 |
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| InChI | InChI=1S/C28H32FN7O2S/c1-20(2)39(37,38)34-16-14-33(15-17-34)27-10-4-8-23(31-27)25-19-30-26-11-12-28(32-36(25)26)35-13-5-9-24(35)21-6-3-7-22(29)18-21/h3-4,6-8,10-12,18-20,24H,5,9,13-17H2,1-2H3/t24-/m1/s1 |
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| InChIKey | DHRKXSFDQRLMCP-XMMPIXPASA-N |
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| XLogP | 4.13 |
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| TPSA | 86.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 549.68 |
| LogP ≤ 5 | 4.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 44519877) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is DHRKXSFDQRLMCP-XMMPIXPASA-N. The full InChI is InChI=1S/C28H32FN7O2S/c1-20(2)39(37,38)34-16-14-33(15-17-34)27-10-4-8-23(31-27)25-19-30-26-11-12-28(32-36(25)26)35-13-5-9-24(35)21-6-3-7-22(29)18-21/h3-4,6-8,10-12,18-20,24H,5,9,13-17H2,1-2H3/t24-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 549.68 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 44519877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).