About 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245875) has the molecular formula C26H22FN7O4
and a molecular weight of 515.51 g/mol. Its IUPAC name is 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide |
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| PubChem CID | 121245875 |
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| Molecular Formula | C26H22FN7O4 |
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| Molecular Weight | 515.51 g/mol |
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| Exact Mass | 515.17 |
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| IUPAC Name | 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide |
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| SMILES | COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(F)ccc1C#N |
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| InChI | InChI=1S/C26H22FN7O4/c1-33-8-7-17(32-33)10-22(26(37)31-18-5-6-21(25(29)36)30-13-18)34-14-23(38-2)20(11-24(34)35)19-9-16(27)4-3-15(19)12-28/h3-9,11,13-14,22H,10H2,1-2H3,(H2,29,36)(H,31,37) |
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| InChIKey | GQVNMLVJSIXAMF-UHFFFAOYSA-N |
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| XLogP | 2.18 |
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| TPSA | 157.92 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 515.51 |
| LogP ≤ 5 | 2.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (CID 121245875) is 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(F)ccc1C#N.
What is the InChIKey of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is GQVNMLVJSIXAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O4/c1-33-8-7-17(32-33)10-22(26(37)31-18-5-6-21(25(29)36)30-13-18)34-14-23(38-2)20(11-24(34)35)19-9-16(27)4-3-15(19)12-28/h3-9,11,13-14,22H,10H2,1-2H3,(H2,29,36)(H,31,37).
What are the key properties of 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 515.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).