About 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (PubChem CID 134435705) has the molecular formula C26H23ClFN7O2
and a molecular weight of 519.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide |
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| PubChem CID | 134435705 |
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| Molecular Formula | C26H23ClFN7O2 |
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| Molecular Weight | 519.97 g/mol |
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| Exact Mass | 519.16 |
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| IUPAC Name | 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide |
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| SMILES | COc1cc(-c2cnc(N3CCC(C)(NC(=O)c4cc(F)ccc4Cl)CC3)cn2)c2c(C#N)cnn2c1 |
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| InChI | InChI=1S/C26H23ClFN7O2/c1-26(33-25(36)19-9-17(28)3-4-21(19)27)5-7-34(8-6-26)23-14-30-22(13-31-23)20-10-18(37-2)15-35-24(20)16(11-29)12-32-35/h3-4,9-10,12-15H,5-8H2,1-2H3,(H,33,36) |
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| InChIKey | HWWURLDGKVDHGA-UHFFFAOYSA-N |
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| XLogP | 4.25 |
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| TPSA | 108.44 Ų |
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| H-Bond Donors | 1 |
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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 | 519.97 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (CID 134435705) is 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is COc1cc(-c2cnc(N3CCC(C)(NC(=O)c4cc(F)ccc4Cl)CC3)cn2)c2c(C#N)cnn2c1.
What is the InChIKey of 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
The InChIKey is HWWURLDGKVDHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O2/c1-26(33-25(36)19-9-17(28)3-4-21(19)27)5-7-34(8-6-26)23-14-30-22(13-31-23)20-10-18(37-2)15-35-24(20)16(11-29)12-32-35/h3-4,9-10,12-15H,5-8H2,1-2H3,(H,33,36).
What are the key properties of 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide has a molecular weight of 519.97 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is sourced from PubChem (CID 134435705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).