About 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740075) has the molecular formula C26H26N10
and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 126740075 |
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| Molecular Formula | C26H26N10 |
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| Molecular Weight | 478.56 g/mol |
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| Exact Mass | 478.23 |
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| IUPAC Name | 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | Cn1cnc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1 |
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| InChI | InChI=1S/C26H26N10/c1-32-16-23(29-18-32)17-34-5-7-35(8-6-34)25-4-3-19(11-28-25)24-9-20(22-13-30-33(2)14-22)15-36-26(24)21(10-27)12-31-36/h3-4,9,11-16,18H,5-8,17H2,1-2H3 |
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| InChIKey | OLBMBUNFVYXKPB-UHFFFAOYSA-N |
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| XLogP | 2.72 |
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| TPSA | 96.10 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 | 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 | 478.56 |
| LogP ≤ 5 | 2.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 4-[6-[4-[(1-methylimidazol-4-yl)methyl]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-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740075) is 4-[6-[4-[(1-methylimidazol-4-yl)methyl]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-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cnc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.
What is the InChIKey of 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is OLBMBUNFVYXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N10/c1-32-16-23(29-18-32)17-34-5-7-35(8-6-34)25-4-3-19(11-28-25)24-9-20(22-13-30-33(2)14-22)15-36-26(24)21(10-27)12-31-36/h3-4,9,11-16,18H,5-8,17H2,1-2H3.
What are the key properties of 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 478.56 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).