About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847329) has the molecular formula C26H22FN7O2S
and a molecular weight of 515.57 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| PubChem CID | 171847329 |
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| Molecular Formula | C26H22FN7O2S |
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| Molecular Weight | 515.57 g/mol |
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| Exact Mass | 515.15 |
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| IUPAC Name | 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile |
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| SMILES | Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCN(C(=O)CO)CC1 |
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| InChI | InChI=1S/C26H22FN7O2S/c1-16-22(13-31-34(16)21-4-6-32(7-5-21)25(36)15-35)18-9-24(26-19(11-29)12-30-33(26)14-18)37-23-3-2-20(27)8-17(23)10-28/h2-3,8-9,12-14,21,35H,4-7,15H2,1H3 |
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| InChIKey | ZYDXMQCYGDVYNE-UHFFFAOYSA-N |
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| XLogP | 3.70 |
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| TPSA | 123.24 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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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 | 515.57 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847329) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCN(C(=O)CO)CC1.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZYDXMQCYGDVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2S/c1-16-22(13-31-34(16)21-4-6-32(7-5-21)25(36)15-35)18-9-24(26-19(11-29)12-30-33(26)14-18)37-23-3-2-20(27)8-17(23)10-28/h2-3,8-9,12-14,21,35H,4-7,15H2,1H3.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 515.57 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).