About (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone
(4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone (PubChem CID 151399823) has the molecular formula C33H29N7O
and a molecular weight of 539.64 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone.
Molecular Properties
| Compound Name | (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone |
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| PubChem CID | 151399823 |
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| Molecular Formula | C33H29N7O |
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| Molecular Weight | 539.64 g/mol |
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| Exact Mass | 539.24 |
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| IUPAC Name | (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone |
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| SMILES | Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(C(=O)N2CCN(C)CC2)cc1 |
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| InChI | InChI=1S/C33H29N7O/c1-22-29(24-3-5-25(6-4-24)33(41)39-17-15-38(2)16-18-39)20-32-36-21-31(40(32)37-22)28-11-14-35-30-19-26(7-8-27(28)30)23-9-12-34-13-10-23/h3-14,19-21H,15-18H2,1-2H3 |
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| InChIKey | OWFXMEAGTPPEFW-UHFFFAOYSA-N |
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| XLogP | 5.37 |
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| TPSA | 79.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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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
2 violations
| Rule | Value |
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| MW ≤ 500 | 539.64 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone (CID 151399823) is (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone?
The InChIKey is OWFXMEAGTPPEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7O/c1-22-29(24-3-5-25(6-4-24)33(41)39-17-15-38(2)16-18-39)20-32-36-21-31(40(32)37-22)28-11-14-35-30-19-26(7-8-27(28)30)23-9-12-34-13-10-23/h3-14,19-21H,15-18H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone has a molecular weight of 539.64 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]phenyl]methanone is sourced from PubChem (CID 151399823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).