About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740476) has the molecular formula C33H33N9O2
and a molecular weight of 587.69 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)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-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 126740476 |
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| Molecular Formula | C33H33N9O2 |
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| Molecular Weight | 587.69 g/mol |
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| Exact Mass | 587.28 |
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| IUPAC Name | 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1 |
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| InChI | InChI=1S/C33H33N9O2/c1-38-22-28(21-36-38)26-17-29(31-27(18-34)20-37-42(31)23-26)25-7-8-30(35-19-25)39-9-11-41(12-10-39)33(43)32(24-5-3-2-4-6-24)40-13-15-44-16-14-40/h2-8,17,19-23,32H,9-16H2,1H3 |
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| InChIKey | HDOSFRRDGPIYOT-UHFFFAOYSA-N |
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| XLogP | 3.39 |
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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 | 6 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 587.69 |
| LogP ≤ 5 | 3.39 |
| 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-yl-2-phenylacetyl)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-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740476) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)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-yl-2-phenylacetyl)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-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HDOSFRRDGPIYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N9O2/c1-38-22-28(21-36-38)26-17-29(31-27(18-34)20-37-42(31)23-26)25-7-8-30(35-19-25)39-9-11-41(12-10-39)33(43)32(24-5-3-2-4-6-24)40-13-15-44-16-14-40/h2-8,17,19-23,32H,9-16H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 587.69 g/mol, XLogP of 3.39, 6 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-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).