About 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138560059) has the molecular formula C25H25N9O2
and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
Molecular Properties
| Compound Name | 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile |
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| PubChem CID | 138560059 |
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| Molecular Formula | C25H25N9O2 |
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| Molecular Weight | 483.54 g/mol |
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| Exact Mass | 483.21 |
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| IUPAC Name | 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile |
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| SMILES | Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c2ncn(C)c2n1 |
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| InChI | InChI=1S/C25H25N9O2/c1-16-10-18(12-26)27-14-20(16)36-22-11-19(23-24(31-22)33(3)15-29-23)30-21-5-4-17(13-28-21)25(35)34-8-6-32(2)7-9-34/h4-5,10-11,13-15H,6-9H2,1-3H3,(H,28,30,31) |
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| InChIKey | PLNRHDBVQIZKAL-UHFFFAOYSA-N |
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| XLogP | 2.86 |
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| TPSA | 125.09 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 483.54 |
| LogP ≤ 5 | 2.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138560059) is 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is PLNRHDBVQIZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-16-10-18(12-26)27-14-20(16)36-22-11-19(23-24(31-22)33(3)15-29-23)30-21-5-4-17(13-28-21)25(35)34-8-6-32(2)7-9-34/h4-5,10-11,13-15H,6-9H2,1-3H3,(H,28,30,31).
What are the key properties of 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 483.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138560059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).