About 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one
7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174277372) has the molecular formula C26H23F4N5O
and a molecular weight of 497.50 g/mol. Its IUPAC name is 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one.
Molecular Properties
| Compound Name | 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one |
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| PubChem CID | 174277372 |
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| Molecular Formula | C26H23F4N5O |
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| Molecular Weight | 497.50 g/mol |
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| Exact Mass | 497.18 |
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| IUPAC Name | 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one |
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| SMILES | Cc1c(N2CCC(c3cc4nccnc4n(Cc4ccccc4C(F)(F)F)c3=O)CC2)ccnc1F |
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| InChI | InChI=1S/C26H23F4N5O/c1-16-22(6-9-32-23(16)27)34-12-7-17(8-13-34)19-14-21-24(33-11-10-31-21)35(25(19)36)15-18-4-2-3-5-20(18)26(28,29)30/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3 |
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| InChIKey | IVXZNHXGZSSSQP-UHFFFAOYSA-N |
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| XLogP | 5.09 |
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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 | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 497.50 |
| LogP ≤ 5 | 5.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174277372) is 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1c(N2CCC(c3cc4nccnc4n(Cc4ccccc4C(F)(F)F)c3=O)CC2)ccnc1F.
What is the InChIKey of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is IVXZNHXGZSSSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O/c1-16-22(6-9-32-23(16)27)34-12-7-17(8-13-34)19-14-21-24(33-11-10-31-21)35(25(19)36)15-18-4-2-3-5-20(18)26(28,29)30/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3.
What are the key properties of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?
7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 497.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174277372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).