5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile

C116H99N55S — CID 159230043

About 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile

5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile (PubChem CID 159230043) has the molecular formula C116H99N55S and a molecular weight of 2295.52 g/mol. Its IUPAC name is 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile
• PubChem CID: 159230043
• Molecular Formula: C116H99N55S
• Molecular Weight: 2295.52 g/mol
• Exact Mass: 2293.92
• IUPAC Name: 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile
• SMILES: CCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1.CNc1nc(N(C)c2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1nc(C)nn1-c1ccccn1.CNc1nc(Nc2ncc[nH]2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
• InChI: InChI=1S/C26H20N10S.2C24H21N11.C23H22N10.C19H15N13/c1-15-8-10-18(11-9-15)31-23-19(13-28)16(2)22(24(29-3)33-23)34-35-25-17(12-27)14-30-36(25)26-32-20-6-4-5-7-21(20)37-26;1-15-6-8-18(9-7-15)34(4)23-19(13-26)16(2)20(21(27-3)31-23)32-33-22-17(12-25)14-30-35(22)24-28-10-5-11-29-24;1-4-16-6-8-18(9-7-16)31-21-19(13-26)15(2)20(22(27-3)32-21)33-34-23-17(12-25)14-30-35(23)24-28-10-5-11-29-24;1-14-8-10-17(11-9-14)28-21-18(13-24)15(2)20(22(25-4)29-21)30-31-23-27-16(3)32-33(23)19-7-5-6-12-26-19;1-11-13(9-21)15(29-18-23-6-7-24-18)28-16(22-2)14(11)30-31-17-12(8-20)10-27-32(17)19-25-4-3-5-26-19/h4-11,14H,1-3H3,(H2,29,31,33);5-11,14H,1-4H3,(H,27,31);5-11,14H,4H2,1-3H3,(H2,27,31,32);5-12H,1-4H3,(H2,25,28,29);3-7,10H,1-2H3,(H3,22,23,24,28,29)/b35-34+;33-32+;34-33+;2*31-30+
• InChIKey: KSUAINCSTVQERS-VMBJODKMSA-N
• XLogP: 24.04
• TPSA: 747.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 55
• Rotatable Bonds: 31
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.52
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile (CID 159230043) is 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile is CCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1.CNc1nc(N(C)c2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1nc(C)nn1-c1ccccn1.CNc1nc(Nc2ncc[nH]2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.

What is the InChIKey of 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile?

The InChIKey is KSUAINCSTVQERS-VMBJODKMSA-N. The full InChI is InChI=1S/C26H20N10S.2C24H21N11.C23H22N10.C19H15N13/c1-15-8-10-18(11-9-15)31-23-19(13-28)16(2)22(24(29-3)33-23)34-35-25-17(12-27)14-30-36(25)26-32-20-6-4-5-7-21(20)37-26;1-15-6-8-18(9-7-15)34(4)23-19(13-26)16(2)20(21(27-3)31-23)32-33-22-17(12-25)14-30-35(22)24-28-10-5-11-29-24;1-4-16-6-8-18(9-7-16)31-21-19(13-26)15(2)20(22(27-3)32-21)33-34-23-17(12-25)14-30-35(23)24-28-10-5-11-29-24;1-14-8-10-17(11-9-14)28-21-18(13-24)15(2)20(22(25-4)29-21)30-31-23-27-16(3)32-33(23)19-7-5-6-12-26-19;1-11-13(9-21)15(29-18-23-6-7-24-18)28-16(22-2)14(11)30-31-17-12(8-20)10-27-32(17)19-25-4-3-5-26-19/h4-11,14H,1-3H3,(H2,29,31,33);5-11,14H,1-4H3,(H,27,31);5-11,14H,4H2,1-3H3,(H2,27,31,32);5-12H,1-4H3,(H2,25,28,29);3-7,10H,1-2H3,(H3,22,23,24,28,29)/b35-34+;33-32+;34-33+;2*31-30+.

What are the key properties of 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile?

5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile has a molecular weight of 2295.52 g/mol, XLogP of 24.04, 31 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-5-yl]diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(N,4-dimethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(1H-imidazol-2-ylamino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;4-methyl-6-(methylamino)-2-(4-methylanilino)-5-[(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 159230043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).