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;cobalt

C40H36CoN16O4 — CID 135983854

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;cobalt

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;cobalt (PubChem CID 135983854) has the molecular formula C40H36CoN16O4 and a molecular weight of 863.77 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;cobalt.

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;cobalt
• PubChem CID: 135983854
• Molecular Formula: C40H36CoN16O4
• Molecular Weight: 863.77 g/mol
• Exact Mass: 863.24
• 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;cobalt
• 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.[Co]
• InChI: InChI=1S/2C20H18N8O2.Co/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+
• InChIKey: JWPSHTJKFOKUDY-PUUPLGBVSA-N
• XLogP: 8.16
• TPSA: 251.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.77
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'}

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;cobalt?

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;cobalt (CID 135983854) 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;cobalt.

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;cobalt?

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;cobalt 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.[Co].

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;cobalt?

The InChIKey is JWPSHTJKFOKUDY-PUUPLGBVSA-N. The full InChI is InChI=1S/2C20H18N8O2.Co/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;cobalt?

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;cobalt has a molecular weight of 863.77 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;cobalt is sourced from PubChem (CID 135983854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).