About 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide
3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 134435791) has the molecular formula C27H26ClN7O2
and a molecular weight of 516.01 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 134435791 |
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| Molecular Formula | C27H26ClN7O2 |
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| Molecular Weight | 516.01 g/mol |
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| Exact Mass | 515.18 |
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| IUPAC Name | 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide |
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| SMILES | COc1cc(-c2ccc(N3CCC(C)(N(C)C(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1 |
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| InChI | InChI=1S/C27H26ClN7O2/c1-27(33(2)26(36)24-22(28)5-4-10-30-24)8-11-34(12-9-27)23-7-6-18(15-31-23)21-13-20(37-3)17-35-25(21)19(14-29)16-32-35/h4-7,10,13,15-17H,8-9,11-12H2,1-3H3 |
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| InChIKey | JXONKRXXLGROBY-UHFFFAOYSA-N |
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| XLogP | 4.46 |
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| TPSA | 99.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 516.01 |
| LogP ≤ 5 | 4.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide (CID 134435791) is 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide is COc1cc(-c2ccc(N3CCC(C)(N(C)C(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is JXONKRXXLGROBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O2/c1-27(33(2)26(36)24-22(28)5-4-10-30-24)8-11-34(12-9-27)23-7-6-18(15-31-23)21-13-20(37-3)17-35-25(21)19(14-29)16-32-35/h4-7,10,13,15-17H,8-9,11-12H2,1-3H3.
What are the key properties of 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide?
3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 516.01 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134435791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).