About 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112650) has the molecular formula C26H24F3N5O2S
and a molecular weight of 527.57 g/mol. Its IUPAC name is 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide |
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| PubChem CID | 118112650 |
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| Molecular Formula | C26H24F3N5O2S |
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| Molecular Weight | 527.57 g/mol |
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| Exact Mass | 527.16 |
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| IUPAC Name | 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide |
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| SMILES | O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3cnn4ccccc34)CC2)s1 |
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| InChI | InChI=1S/C26H24F3N5O2S/c27-26(28,29)21-6-2-1-5-18(21)15-30-24(35)23-9-8-19(37-23)17-32-11-13-33(14-12-32)25(36)20-16-31-34-10-4-3-7-22(20)34/h1-10,16H,11-15,17H2,(H,30,35) |
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| InChIKey | YBIBCOBPOUTJJM-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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| TPSA | 69.95 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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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 | 527.57 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 118112650) is 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3cnn4ccccc34)CC2)s1.
What is the InChIKey of 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is YBIBCOBPOUTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2S/c27-26(28,29)21-6-2-1-5-18(21)15-30-24(35)23-9-8-19(37-23)17-32-11-13-33(14-12-32)25(36)20-16-31-34-10-4-3-7-22(20)34/h1-10,16H,11-15,17H2,(H,30,35).
What are the key properties of 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 527.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).