About methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate
methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate (PubChem CID 159290757) has the molecular formula C206H202N129O31S10+
and a molecular weight of 5301.42 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate.
Frequently Asked Questions
What is the IUPAC name of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate (CID 159290757) is methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4snc(C)c4C(=O)CO)c3N)ncn2)c1N.COC(=O)c1cn(C)[n+](C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4nn(C)cc4C(=O)CO)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc(C)ns2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4-c4nc(C)ns4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4-c4nc5ccccc5s4)c3N)ncn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(N)=O)cnn4C)c3N)ncn2)c1N.COC(=O)c1cnsc1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4sncc4C(=O)CO)c3N)ncn2)c1N.COC(=O)c1nc(C)sc1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4sc(C)nc4C(=O)CO)c3N)ncn2)c1N.COC(=O)c1ncn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)ncn4C)c3N)ncn2)c1N.
What is the InChIKey of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate?
The InChIKey is AVTWTLAOYOMKQT-JZWNNIQXSA-O. The full InChI is InChI=1S/C36H28N18O4S2.C28H26N20O4S2.C25H28N16O4.C24H26N16O4.2C24H24N14O4S2.C23H25N17O3.C22H20N14O4S2/c1-17-28(45-47-32-19(23(56)15-55)13-41-53(32)35-43-21-8-4-6-10-24(21)59-35)30(37)51(49-17)26-12-27(40-16-39-26)52-31(38)29(18(2)50-52)46-48-33-20(34(57)58-3)14-42-54(33)36-44-22-9-5-7-11-25(22)60-36;1-11-20(37-39-24-15(17(50)9-49)7-33-47(24)27-35-13(3)43-53-27)22(29)45(41-11)18-6-19(32-10-31-18)46-23(30)21(12(2)42-46)38-40-25-16(26(51)52-5)8-34-48(25)28-36-14(4)44-54-28;1-12-19(30-32-23-14(16(43)10-42)8-37(3)36-23)21(26)40(34-12)17-7-18(29-11-28-17)41-22(27)20(13(2)35-41)31-33-24-15(25(44)45-6)9-38(4)39(24)5;1-11-16(31-33-22-18(13(42)7-41)29-9-37(22)3)20(25)39(35-11)14-6-15(28-8-27-14)40-21(26)17(12(2)36-40)32-34-23-19(24(43)44-5)30-10-38(23)4;1-9-16(31-33-22-18(13(40)7-39)29-11(3)43-22)20(25)37(35-9)14-6-15(28-8-27-14)38-21(26)17(10(2)36-38)32-34-23-19(24(41)42-5)30-12(4)44-23;1-9-16(13(40)7-39)22(43-35-9)31-29-18-11(3)33-37(20(18)25)14-6-15(28-8-27-14)38-21(26)19(12(4)34-38)30-32-23-17(24(41)42-5)10(2)36-44-23;1-10-16(31-33-21-12(20(26)41)7-29-37(21)3)18(24)39(35-10)14-6-15(28-9-27-14)40-19(25)17(11(2)36-40)32-34-22-13(23(42)43-5)8-30-38(22)4;1-9-16(29-31-20-11(5-27-41-20)13(38)7-37)18(23)35(33-9)14-4-15(26-8-25-14)36-19(24)17(10(2)34-36)30-32-21-12(6-28-42-21)22(39)40-3/h4-14,16,55H,15,37-38H2,1-3H3;6-8,10,49H,9,29-30H2,1-5H3;7-9,11,27,42H,10H2,1-6H3,(H2,26,32,34,36);6,8-10,41H,7,25-26H2,1-5H3;2*6,8,39H,7,25-26H2,1-5H3;6-9H,24-25H2,1-5H3,(H2,26,41);4-6,8,37H,7,23-24H2,1-3H3/p+1/b47-45+,48-46+;39-37+,40-38+;;2*33-31+,34-32+;31-29+,32-30+;33-31+,34-32+;31-29+,32-30+.
What are the key properties of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate?
methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate has a molecular weight of 5301.42 g/mol, XLogP of 25.38, 75 rotatable bonds, 24 hydrogen bond donors, and 168 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-(2-hydroxyacetyl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[5-(2-hydroxyacetyl)-3-methylimidazol-4-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylimidazole-4-carboxylate;methyl 3-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-3-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-dimethylpyrazol-2-ium-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-2-methyl-1,3-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-2-methyl-1,3-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 159290757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).