About 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one (PubChem CID 52917251) has the molecular formula C25H21ClF4N4O2
and a molecular weight of 520.91 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one.
Molecular Properties
| Compound Name | 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one |
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| PubChem CID | 52917251 |
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| Molecular Formula | C25H21ClF4N4O2 |
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| Molecular Weight | 520.91 g/mol |
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| Exact Mass | 520.13 |
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| IUPAC Name | 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one |
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| SMILES | O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(C3CC3)cc2F)C(=O)C1 |
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| InChI | InChI=1S/C25H21ClF4N4O2/c26-22-19-10-16(14-3-4-14)11-20(25(28,29)30)34(19)31-23(22)24(36)32-7-8-33(21(35)12-32)18-6-5-15(9-17(18)27)13-1-2-13/h5-6,9-11,13-14H,1-4,7-8,12H2 |
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| InChIKey | RQGXCLAVAIYHJX-UHFFFAOYSA-N |
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| XLogP | 5.39 |
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| TPSA | 57.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 520.91 |
| LogP ≤ 5 | 5.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one (CID 52917251) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccc(C3CC3)cc2F)C(=O)C1.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one?
The InChIKey is RQGXCLAVAIYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF4N4O2/c26-22-19-10-16(14-3-4-14)11-20(25(28,29)30)34(19)31-23(22)24(36)32-7-8-33(21(35)12-32)18-6-5-15(9-17(18)27)13-1-2-13/h5-6,9-11,13-14H,1-4,7-8,12H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one has a molecular weight of 520.91 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-cyclopropyl-2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 52917251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).