About 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434758) has the molecular formula C30H34N8O2
and a molecular weight of 538.66 g/mol. Its IUPAC name is 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 134434758 |
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| Molecular Formula | C30H34N8O2 |
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| Molecular Weight | 538.66 g/mol |
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| Exact Mass | 538.28 |
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| IUPAC Name | 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | CN1CCN(CCOc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)CC1 |
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| InChI | InChI=1S/C30H34N8O2/c1-35-12-14-36(15-13-35)16-17-39-26-18-27(30-24(19-31)21-34-38(30)22-26)23-5-6-28(33-20-23)37-10-7-25(8-11-37)40-29-4-2-3-9-32-29/h2-6,9,18,20-22,25H,7-8,10-17H2,1H3 |
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| InChIKey | YPKATCMDTBELKX-UHFFFAOYSA-N |
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| XLogP | 3.34 |
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| TPSA | 95.05 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 538.66 |
| LogP ≤ 5 | 3.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434758) is 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCN(CCOc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)CC1.
What is the InChIKey of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YPKATCMDTBELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-35-12-14-36(15-13-35)16-17-39-26-18-27(30-24(19-31)21-34-38(30)22-26)23-5-6-28(33-20-23)37-10-7-25(8-11-37)40-29-4-2-3-9-32-29/h2-6,9,18,20-22,25H,7-8,10-17H2,1H3.
What are the key properties of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 538.66 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).