1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid

C87H85N51O8S3 — CID 159673363

About 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid

1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid (PubChem CID 159673363) has the molecular formula C87H85N51O8S3 and a molecular weight of 2069.19 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid
• PubChem CID: 159673363
• Molecular Formula: C87H85N51O8S3
• Molecular Weight: 2069.19 g/mol
• Exact Mass: 2067.70
• IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid
• SMILES: CC(=O)Nc1cc(N)c(/N=N/c2c(C#N)cnn2-c2nc(=O)[nH]c(=O)[nH]2)c(N)n1.CC(=O)Nc1nc(N)nc(N)c1/N=N/c1c(C#N)cnn1-c1nccn1C.CNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(N2CCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(NC)c(C(=O)O)c(C)c1/N=N/c1c(S(C)(=O)=O)cnn1-c1cccnn1
• InChI: InChI=1S/C22H21N9S.C20H19N9S.C17H19N9O4S.C14H12N12O3.C14H14N12O/c1-14-11-18(30-9-5-6-10-30)27-20(24-2)19(14)28-29-21-15(12-23)13-25-31(21)22-26-16-7-3-4-8-17(16)32-22;1-12-9-16(28(3)4)25-18(22-2)17(12)26-27-19-13(10-21)11-23-29(19)20-24-14-7-5-6-8-15(14)30-20;1-9-12(17(27)28)14(18-2)22-15(19-3)13(9)24-25-16-10(31(4,29)30)8-21-26(16)11-6-5-7-20-23-11;1-5(27)19-8-2-7(16)9(10(17)20-8)24-25-11-6(3-15)4-18-26(11)12-21-13(28)23-14(29)22-12;1-7(27)20-11-9(10(16)21-13(17)22-11)23-24-12-8(5-15)6-19-26(12)14-18-3-4-25(14)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,24,27);5-9,11H,1-4H3,(H,22,25);5-8H,1-4H3,(H,27,28)(H2,18,19,22);2,4H,1H3,(H5,16,17,19,20,27)(H2,21,22,23,28,29);3-4,6H,1-2H3,(H5,16,17,20,21,22,27)/b29-28+;27-26+;2*25-24+;24-23+
• InChIKey: MUGXAYNBTONOPX-VTBNCRTFSA-N
• XLogP: 11.92
• TPSA: 821.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 56
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2069.19
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	56

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 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid?

The IUPAC name of 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid (CID 159673363) is 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid?

The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid is CC(=O)Nc1cc(N)c(/N=N/c2c(C#N)cnn2-c2nc(=O)[nH]c(=O)[nH]2)c(N)n1.CC(=O)Nc1nc(N)nc(N)c1/N=N/c1c(C#N)cnn1-c1nccn1C.CNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(N2CCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1.CNc1nc(NC)c(C(=O)O)c(C)c1/N=N/c1c(S(C)(=O)=O)cnn1-c1cccnn1.

What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid?

The InChIKey is MUGXAYNBTONOPX-VTBNCRTFSA-N. The full InChI is InChI=1S/C22H21N9S.C20H19N9S.C17H19N9O4S.C14H12N12O3.C14H14N12O/c1-14-11-18(30-9-5-6-10-30)27-20(24-2)19(14)28-29-21-15(12-23)13-25-31(21)22-26-16-7-3-4-8-17(16)32-22;1-12-9-16(28(3)4)25-18(22-2)17(12)26-27-19-13(10-21)11-23-29(19)20-24-14-7-5-6-8-15(14)30-20;1-9-12(17(27)28)14(18-2)22-15(19-3)13(9)24-25-16-10(31(4,29)30)8-21-26(16)11-6-5-7-20-23-11;1-5(27)19-8-2-7(16)9(10(17)20-8)24-25-11-6(3-15)4-18-26(11)12-21-13(28)23-14(29)22-12;1-7(27)20-11-9(10(16)21-13(17)22-11)23-24-12-8(5-15)6-19-26(12)14-18-3-4-25(14)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,24,27);5-9,11H,1-4H3,(H,22,25);5-8H,1-4H3,(H,27,28)(H2,18,19,22);2,4H,1H3,(H5,16,17,19,20,27)(H2,21,22,23,28,29);3-4,6H,1-2H3,(H5,16,17,20,21,22,27)/b29-28+;27-26+;2*25-24+;24-23+.

What are the key properties of 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid?

1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid has a molecular weight of 2069.19 g/mol, XLogP of 11.92, 25 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159673363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).