About 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (PubChem CID 134436487) has the molecular formula C27H25ClFN7O2
and a molecular weight of 534.00 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[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-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide |
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| PubChem CID | 134436487 |
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| Molecular Formula | C27H25ClFN7O2 |
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| Molecular Weight | 534.00 g/mol |
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| Exact Mass | 533.17 |
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| IUPAC Name | 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide |
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| SMILES | CCOc1cc(-c2cnc(N3CCC(C)(NC(=O)c4cc(F)ccc4Cl)CC3)cn2)c2c(C#N)cnn2c1 |
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| InChI | InChI=1S/C27H25ClFN7O2/c1-3-38-19-11-21(25-17(12-30)13-33-36(25)16-19)23-14-32-24(15-31-23)35-8-6-27(2,7-9-35)34-26(37)20-10-18(29)4-5-22(20)28/h4-5,10-11,13-16H,3,6-9H2,1-2H3,(H,34,37) |
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| InChIKey | QULRBQCFJQDVFD-UHFFFAOYSA-N |
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| XLogP | 4.64 |
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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 | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.00 |
| LogP ≤ 5 | 4.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[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-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (CID 134436487) is 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[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-ethoxypyrazolo[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-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is CCOc1cc(-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-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
The InChIKey is QULRBQCFJQDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN7O2/c1-3-38-19-11-21(25-17(12-30)13-33-36(25)16-19)23-14-32-24(15-31-23)35-8-6-27(2,7-9-35)34-26(37)20-10-18(29)4-5-22(20)28/h4-5,10-11,13-16H,3,6-9H2,1-2H3,(H,34,37).
What are the key properties of 2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
2-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide has a molecular weight of 534.00 g/mol, XLogP of 4.64, 6 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-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is sourced from PubChem (CID 134436487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).