About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740182) has the molecular formula C32H31N9O2
and a molecular weight of 573.66 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 126740182 |
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| Molecular Formula | C32H31N9O2 |
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| Molecular Weight | 573.66 g/mol |
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| Exact Mass | 573.26 |
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| IUPAC Name | 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5ccccc5N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1 |
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| InChI | InChI=1S/C32H31N9O2/c1-37-21-26(20-35-37)24-16-28(31-25(17-33)19-36-41(31)22-24)23-6-7-30(34-18-23)39-8-10-40(11-9-39)32(42)27-4-2-3-5-29(27)38-12-14-43-15-13-38/h2-7,16,18-22H,8-15H2,1H3 |
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| InChIKey | JPKXGDUFCJRFFT-UHFFFAOYSA-N |
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| XLogP | 3.47 |
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| TPSA | 107.82 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 | 43 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 573.66 |
| LogP ≤ 5 | 3.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740182) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5ccccc5N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JPKXGDUFCJRFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N9O2/c1-37-21-26(20-35-37)24-16-28(31-25(17-33)19-36-41(31)22-24)23-6-7-30(34-18-23)39-8-10-40(11-9-39)32(42)27-4-2-3-5-29(27)38-12-14-43-15-13-38/h2-7,16,18-22H,8-15H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 573.66 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).