About (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone
(4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone (PubChem CID 147455468) has the molecular formula C32H34N8O
and a molecular weight of 546.68 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone.
Molecular Properties
| Compound Name | (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone |
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| PubChem CID | 147455468 |
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| Molecular Formula | C32H34N8O |
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| Molecular Weight | 546.68 g/mol |
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| Exact Mass | 546.29 |
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| IUPAC Name | (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone |
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| SMILES | Cc1nn2c(-c3ccnc4cc(C(=O)N5CCN(C)CC5)ccc34)cnc2cc1-c1ccc(N2CCNCC2)cc1 |
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| InChI | InChI=1S/C32H34N8O/c1-22-28(23-3-6-25(7-4-23)38-13-11-33-12-14-38)20-31-35-21-30(40(31)36-22)27-9-10-34-29-19-24(5-8-26(27)29)32(41)39-17-15-37(2)16-18-39/h3-10,19-21,33H,11-18H2,1-2H3 |
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| InChIKey | DYWXFXUTZYZZQY-UHFFFAOYSA-N |
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| XLogP | 3.72 |
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| TPSA | 81.90 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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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 | 546.68 |
| LogP ≤ 5 | 3.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone (CID 147455468) is (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone is Cc1nn2c(-c3ccnc4cc(C(=O)N5CCN(C)CC5)ccc34)cnc2cc1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone?
The InChIKey is DYWXFXUTZYZZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O/c1-22-28(23-3-6-25(7-4-23)38-13-11-33-12-14-38)20-31-35-21-30(40(31)36-22)27-9-10-34-29-19-24(5-8-26(27)29)32(41)39-17-15-37(2)16-18-39/h3-10,19-21,33H,11-18H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone?
(4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone has a molecular weight of 546.68 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[6-methyl-7-(4-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazin-3-yl]quinolin-7-yl]methanone is sourced from PubChem (CID 147455468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).