About 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436663) has the molecular formula C28H31N9O2
and a molecular weight of 525.62 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 134436663 |
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| Molecular Formula | C28H31N9O2 |
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| Molecular Weight | 525.62 g/mol |
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| Exact Mass | 525.26 |
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| IUPAC Name | 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c12 |
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| InChI | InChI=1S/C28H31N9O2/c29-17-23-19-33-37-20-24(39-15-12-34-10-13-38-14-11-34)16-25(28(23)37)22-2-3-27(32-18-22)36-8-6-35(7-9-36)21-26-30-4-1-5-31-26/h1-5,16,18-20H,6-15,21H2 |
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| InChIKey | LRIVWQZOTNFWPU-UHFFFAOYSA-N |
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| XLogP | 2.09 |
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| TPSA | 107.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 525.62 |
| LogP ≤ 5 | 2.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436663) is 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c12.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LRIVWQZOTNFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O2/c29-17-23-19-33-37-20-24(39-15-12-34-10-13-38-14-11-34)16-25(28(23)37)22-2-3-27(32-18-22)36-8-6-35(7-9-36)21-26-30-4-1-5-31-26/h1-5,16,18-20H,6-15,21H2.
What are the key properties of 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 525.62 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).