About ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741405) has the molecular formula C32H36N8O3
and a molecular weight of 580.69 g/mol. Its IUPAC name is ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
Molecular Properties
| Compound Name | ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate |
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| PubChem CID | 126741405 |
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| Molecular Formula | C32H36N8O3 |
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| Molecular Weight | 580.69 g/mol |
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| Exact Mass | 580.29 |
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| IUPAC Name | ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate |
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| SMILES | CCOC(=O)c1cc(-c2ccc(N3CCC(C#N)CC3)nc2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1 |
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| InChI | InChI=1S/C32H36N8O3/c1-4-43-32(41)26-18-25(23-5-6-27(35-20-23)38-11-8-22(19-33)9-12-38)29-30(21(2)3)37-40(31(29)36-26)24-7-10-34-28(17-24)39-13-15-42-16-14-39/h5-7,10,17-18,20-22H,4,8-9,11-16H2,1-3H3 |
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| InChIKey | MXRXALBAJUWPTP-UHFFFAOYSA-N |
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| XLogP | 4.75 |
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| TPSA | 122.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 580.69 |
| LogP ≤ 5 | 4.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge
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Frequently Asked Questions
What is the IUPAC name of ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741405) is ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(N3CCC(C#N)CC3)nc2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1.
What is the InChIKey of ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is MXRXALBAJUWPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O3/c1-4-43-32(41)26-18-25(23-5-6-27(35-20-23)38-11-8-22(19-33)9-12-38)29-30(21(2)3)37-40(31(29)36-26)24-7-10-34-28(17-24)39-13-15-42-16-14-39/h5-7,10,17-18,20-22H,4,8-9,11-16H2,1-3H3.
What are the key properties of ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 580.69 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).