About 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138571635) has the molecular formula C23H24N10O
and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
Molecular Properties
| Compound Name | 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile |
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| PubChem CID | 138571635 |
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| Molecular Formula | C23H24N10O |
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| Molecular Weight | 456.51 g/mol |
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| Exact Mass | 456.21 |
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| IUPAC Name | 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile |
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| SMILES | Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCN(C)CC3)nn2)c2ncn(C)c2n1 |
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| InChI | InChI=1S/C23H24N10O/c1-15-10-16(12-24)25-13-18(15)34-21-11-17(22-23(28-21)32(3)14-26-22)27-19-4-5-20(30-29-19)33-8-6-31(2)7-9-33/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,27,28,29) |
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| InChIKey | ZBEZUWVXDAVTSC-UHFFFAOYSA-N |
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| XLogP | 2.62 |
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| TPSA | 120.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 456.51 |
| LogP ≤ 5 | 2.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138571635) is 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCN(C)CC3)nn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is ZBEZUWVXDAVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10O/c1-15-10-16(12-24)25-13-18(15)34-21-11-17(22-23(28-21)32(3)14-26-22)27-19-4-5-20(30-29-19)33-8-6-31(2)7-9-33/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,27,28,29).
What are the key properties of 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 456.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138571635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).