About [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 71199942) has the molecular formula C25H22ClFN6O2
and a molecular weight of 492.94 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
Molecular Properties
| Compound Name | [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone |
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| PubChem CID | 71199942 |
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| Molecular Formula | C25H22ClFN6O2 |
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| Molecular Weight | 492.94 g/mol |
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| Exact Mass | 492.15 |
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| IUPAC Name | [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone |
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| SMILES | Cc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3cnoc3C)CC2)nc1-c1ccncc1Cl |
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| InChI | InChI=1S/C25H22ClFN6O2/c1-15-11-17(27)3-4-18(15)23-24(19-5-6-28-13-21(19)26)31-22(14-29-23)32-7-9-33(10-8-32)25(34)20-12-30-35-16(20)2/h3-6,11-14H,7-10H2,1-2H3 |
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| InChIKey | WOHDSMLPBFVLNY-UHFFFAOYSA-N |
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| XLogP | 4.57 |
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| TPSA | 88.25 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 492.94 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 71199942) is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3cnoc3C)CC2)nc1-c1ccncc1Cl.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WOHDSMLPBFVLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2/c1-15-11-17(27)3-4-18(15)23-24(19-5-6-28-13-21(19)26)31-22(14-29-23)32-7-9-33(10-8-32)25(34)20-12-30-35-16(20)2/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 492.94 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 71199942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).