About [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 89365420) has the molecular formula C26H18ClF5N6O
and a molecular weight of 560.91 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.
Molecular Properties
| Compound Name | [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone |
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| PubChem CID | 89365420 |
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| Molecular Formula | C26H18ClF5N6O |
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| Molecular Weight | 560.91 g/mol |
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| Exact Mass | 560.12 |
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| IUPAC Name | [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone |
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| SMILES | O=C(c1ccc(C(F)(F)F)cn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1 |
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| InChI | InChI=1S/C26H18ClF5N6O/c27-19-13-33-6-5-17(19)24-23(18-3-2-16(28)11-20(18)29)35-14-22(36-24)37-7-9-38(10-8-37)25(39)21-4-1-15(12-34-21)26(30,31)32/h1-6,11-14H,7-10H2 |
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| InChIKey | DFIGWFJHQCMTDH-UHFFFAOYSA-N |
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| XLogP | 5.51 |
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| TPSA | 75.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 560.91 |
| LogP ≤ 5 | 5.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 89365420) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)cn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is DFIGWFJHQCMTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF5N6O/c27-19-13-33-6-5-17(19)24-23(18-3-2-16(28)11-20(18)29)35-14-22(36-24)37-7-9-38(10-8-37)25(39)21-4-1-15(12-34-21)26(30,31)32/h1-6,11-14H,7-10H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 560.91 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 89365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).