About 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174278111) has the molecular formula C27H25F4N5O
and a molecular weight of 511.52 g/mol. Its IUPAC name is 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
Molecular Properties
| Compound Name | 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one |
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| PubChem CID | 174278111 |
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| Molecular Formula | C27H25F4N5O |
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| Molecular Weight | 511.52 g/mol |
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| Exact Mass | 511.20 |
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| IUPAC Name | 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one |
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| SMILES | Cc1cnc2cc(N3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1 |
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| InChI | InChI=1S/C27H25F4N5O/c1-16-5-3-7-20(28)24(16)18-8-11-35(12-9-18)23-13-21-25(34-17(2)14-33-21)36(26(23)37)15-22-19(27(29,30)31)6-4-10-32-22/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3 |
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| InChIKey | YGWNZAPOYIYLGJ-UHFFFAOYSA-N |
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| XLogP | 5.39 |
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| TPSA | 63.91 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 | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 511.52 |
| LogP ≤ 5 | 5.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174278111) is 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc(N3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1.
What is the InChIKey of 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is YGWNZAPOYIYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N5O/c1-16-5-3-7-20(28)24(16)18-8-11-35(12-9-18)23-13-21-25(34-17(2)14-33-21)36(26(23)37)15-22-19(27(29,30)31)6-4-10-32-22/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3.
What are the key properties of 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 511.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174278111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).