1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)

C90H99Mn2N35O6 — CID 157245497

About 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)

1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+) (PubChem CID 157245497) has the molecular formula C90H99Mn2N35O6 and a molecular weight of 1876.90 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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+).

Molecular Properties

• Compound Name: 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)
• PubChem CID: 157245497
• Molecular Formula: C90H99Mn2N35O6
• Molecular Weight: 1876.90 g/mol
• Exact Mass: 1875.73
• IUPAC Name: 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)
• SMILES: CCCCC(CC)c1n[n-]c2c(/N=N\c3c(C#N)cnn3-c3ccccn3)c(C(C)(C)C)nn12.CCCCn1c(O)c(/N=N\c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.[C-]#[N+]c1c(C)c(/N=N/c2c(C(=O)OCC)cnn2-c2ccccn2)c(O)n(CCCC)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C(C)(C)C)nn2c(C(CC)CCCC)n[n-]c12.[Mn+2].[Mn]
• InChI: InChI=1S/2C24H29N10.C22H23N7O4.C20H18N8O2.2Mn/c1-7-9-12-16(8-2)21-29-31-23-19(20(24(3,4)5)32-34(21)23)28-30-22-17(25-6)15-27-33(22)18-13-10-11-14-26-18;1-6-8-11-16(7-2)21-30-31-23-19(20(24(3,4)5)32-34(21)23)28-29-22-17(14-25)15-27-33(22)18-12-9-10-13-26-18;1-5-7-12-28-20(30)17(23-4)14(3)18(21(28)31)26-27-19-15(22(32)33-6-2)13-25-29(19)16-10-8-9-11-24-16;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;;/h10-11,13-16H,7-9,12H2,1-5H3;9-10,12-13,15-16H,6-8,11H2,1-5H3;8-11,13,31H,5-7,12H2,1-3H3;5-8,12,30H,3-4,9H2,1-2H3;;/q2*-1;;;;+2/b30-28+;29-28-;27-26+;26-25-
• InChIKey: QQKVFSCSHQOPID-SPUJJMLZSA-N
• XLogP: 19.53
• TPSA: 501.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.90
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)?

The IUPAC name of 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+) (CID 157245497) is 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+).

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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)?

The canonical SMILES for 1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+) is CCCCC(CC)c1n[n-]c2c(/N=N\c3c(C#N)cnn3-c3ccccn3)c(C(C)(C)C)nn12.CCCCn1c(O)c(/N=N\c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.[C-]#[N+]c1c(C)c(/N=N/c2c(C(=O)OCC)cnn2-c2ccccn2)c(O)n(CCCC)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C(C)(C)C)nn2c(C(CC)CCCC)n[n-]c12.[Mn+2].[Mn].

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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)?

The InChIKey is QQKVFSCSHQOPID-SPUJJMLZSA-N. The full InChI is InChI=1S/2C24H29N10.C22H23N7O4.C20H18N8O2.2Mn/c1-7-9-12-16(8-2)21-29-31-23-19(20(24(3,4)5)32-34(21)23)28-30-22-17(25-6)15-27-33(22)18-13-10-11-14-26-18;1-6-8-11-16(7-2)21-30-31-23-19(20(24(3,4)5)32-34(21)23)28-29-22-17(14-25)15-27-33(22)18-12-9-10-13-26-18;1-5-7-12-28-20(30)17(23-4)14(3)18(21(28)31)26-27-19-15(22(32)33-6-2)13-25-29(19)16-10-8-9-11-24-16;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;;/h10-11,13-16H,7-9,12H2,1-5H3;9-10,12-13,15-16H,6-8,11H2,1-5H3;8-11,13,31H,5-7,12H2,1-3H3;5-8,12,30H,3-4,9H2,1-2H3;;/q2*-1;;;;+2/b30-28+;29-28-;27-26+;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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+)?

1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+) has a molecular weight of 1876.90 g/mol, XLogP of 19.53, 30 rotatable bonds, 2 hydrogen bond donors, and 37 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;5-[(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;(3-tert-butyl-8-heptan-3-yl-1,2,7-triaza-6-azanidabicyclo[3.3.0]octa-2,4,7-trien-4-yl)-(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazene;ethyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;manganese;manganese(2+) is sourced from PubChem (CID 157245497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).