About 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper
1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper (PubChem CID 135983863) has the molecular formula C40H36CuN16O4
and a molecular weight of 868.38 g/mol. Its IUPAC name is 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper.
Molecular Properties
| Compound Name | 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper |
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| PubChem CID | 135983863 |
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| Molecular Formula | C40H36CuN16O4 |
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| Molecular Weight | 868.38 g/mol |
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| Exact Mass | 867.24 |
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| IUPAC Name | 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper |
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| SMILES | CCCCn1c(O)c(/N=N\c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N\c1c(C)c([N+]#[C-])c(=O)n(CCCC)c1O.[Cu] |
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| InChI | InChI=1S/2C20H18N8O2.Cu/c1-5-6-11-27-19(29)16(22-4)13(2)17(20(27)30)25-26-18-14(21-3)12-24-28(18)15-9-7-8-10-23-15;1-3-4-9-27-19(29)15(11-22)13(2)17(20(27)30)25-26-18-14(10-21)12-24-28(18)16-7-5-6-8-23-16;/h7-10,12,30H,5-6,11H2,1-2H3;5-8,12,30H,3-4,9H2,1-2H3;/b2*26-25-; |
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| InChIKey | WFMVTBIHSVKEOE-KBVNWVAESA-N |
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| XLogP | 8.16 |
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| TPSA | 251.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 868.38 |
| LogP ≤ 5 | 8.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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Analyze 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper?
The IUPAC name of 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper (CID 135983863) is 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper.
What is the SMILES notation for 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper?
The canonical SMILES for 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper is CCCCn1c(O)c(/N=N\c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N\c1c(C)c([N+]#[C-])c(=O)n(CCCC)c1O.[Cu].
What is the InChIKey of 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper?
The InChIKey is WFMVTBIHSVKEOE-KBVNWVAESA-N. The full InChI is InChI=1S/2C20H18N8O2.Cu/c1-5-6-11-27-19(29)16(22-4)13(2)17(20(27)30)25-26-18-14(21-3)12-24-28(18)15-9-7-8-10-23-15;1-3-4-9-27-19(29)15(11-22)13(2)17(20(27)30)25-26-18-14(10-21)12-24-28(18)16-7-5-6-8-23-16;/h7-10,12,30H,5-6,11H2,1-2H3;5-8,12,30H,3-4,9H2,1-2H3;/b2*26-25-;.
What are the key properties of 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper?
1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper has a molecular weight of 868.38 g/mol, XLogP of 8.16, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;copper is sourced from PubChem (CID 135983863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).