About 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride
2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride (PubChem CID 175872866) has the molecular formula C22H24Cl2FN7O2
and a molecular weight of 508.39 g/mol. Its IUPAC name is 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride.
Molecular Properties
| Compound Name | 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride |
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| PubChem CID | 175872866 |
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| Molecular Formula | C22H24Cl2FN7O2 |
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| Molecular Weight | 508.39 g/mol |
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| Exact Mass | 507.14 |
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| IUPAC Name | 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride |
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| SMILES | Cc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1.Cl |
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| InChI | InChI=1S/C22H23ClFN7O2.ClH/c1-13-21(28-29-31(13)16-4-6-25-7-5-16)14-8-20(22-17(23)10-27-30(22)11-14)33-12-19(32)18-3-2-15(24)9-26-18;/h2-3,8-11,16,19,25,32H,4-7,12H2,1H3;1H |
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| InChIKey | NCHYFILQXKWTKT-UHFFFAOYSA-N |
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| XLogP | 3.55 |
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| TPSA | 102.39 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 508.39 |
| LogP ≤ 5 | 3.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride?
The IUPAC name of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride (CID 175872866) is 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride?
The canonical SMILES for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride is Cc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride?
The InChIKey is NCHYFILQXKWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN7O2.ClH/c1-13-21(28-29-31(13)16-4-6-25-7-5-16)14-8-20(22-17(23)10-27-30(22)11-14)33-12-19(32)18-3-2-15(24)9-26-18;/h2-3,8-11,16,19,25,32H,4-7,12H2,1H3;1H.
What are the key properties of 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride?
2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride has a molecular weight of 508.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol;hydrochloride is sourced from PubChem (CID 175872866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).