About 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126752976) has the molecular formula C28H32N10O
and a molecular weight of 524.63 g/mol. Its IUPAC name is 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 126752976 |
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| Molecular Formula | C28H32N10O |
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| Molecular Weight | 524.63 g/mol |
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| Exact Mass | 524.28 |
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| IUPAC Name | 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | CN1CCN(CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1 |
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| InChI | InChI=1S/C28H32N10O/c1-33-5-7-35(8-6-33)20-27(39)37-11-9-36(10-12-37)26-4-3-21(15-30-26)25-13-22(24-17-31-34(2)18-24)19-38-28(25)23(14-29)16-32-38/h3-4,13,15-19H,5-12,20H2,1-2H3 |
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| InChIKey | VPVGHQYDAOUYCY-UHFFFAOYSA-N |
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| XLogP | 1.56 |
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| TPSA | 101.83 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.63 |
| LogP ≤ 5 | 1.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126752976) is 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCN(CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1.
What is the InChIKey of 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VPVGHQYDAOUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N10O/c1-33-5-7-35(8-6-33)20-27(39)37-11-9-36(10-12-37)26-4-3-21(15-30-26)25-13-22(24-17-31-34(2)18-24)19-38-28(25)23(14-29)16-32-38/h3-4,13,15-19H,5-12,20H2,1-2H3.
What are the key properties of 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 524.63 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126752976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).