About 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 158385561) has the molecular formula C97H104N62O13S4
and a molecular weight of 2474.59 g/mol. Its IUPAC name is 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (CID 158385561) is 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is CC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(C)=O)cnn4C)c3N)ncn2)c1N.COC(=O)c1c(C)nsc1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4snc(C)c4C(=O)CO)c3N)nc(-n3nc(C)c(/N=N/c4snc(C)c4C(=O)OC)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3N(C)C)ncn2)c1N(C)C.Cc1nn(-c2ncccn2)c(N)c1/N=N/c1sncc1C(N)=O.
What is the InChIKey of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is GWICHOZMJHADIX-GBNOGWOSSA-N. The full InChI is InChI=1S/C33H33N21O6S3.C28H34N16O4.C24H26N16O2.C12H11N9OS/c1-10-17(16(56)9-55)26(61-49-10)43-40-20-13(4)46-52(23(20)34)31-37-32(53-24(35)21(14(5)47-53)41-44-27-18(29(57)59-7)11(2)50-62-27)39-33(38-31)54-25(36)22(15(6)48-54)42-45-28-19(30(58)60-8)12(3)51-63-28;1-15-22(33-35-24-17(19(46)13-45)11-31-41(24)7)26(39(3)4)43(37-15)20-10-21(30-14-29-20)44-27(40(5)6)23(16(2)38-44)34-36-25-18(28(47)48-9)12-32-42(25)8;1-11-19(31-33-23-15(13(3)41)8-29-37(23)5)21(25)39(35-11)17-7-18(28-10-27-17)40-22(26)20(12(2)36-40)32-34-24-16(14(4)42)9-30-38(24)6;1-6-8(18-19-11-7(10(14)22)5-17-23-11)9(13)21(20-6)12-15-3-2-4-16-12/h55H,9,34-36H2,1-8H3;10-12,14,45H,13H2,1-9H3;7-10H,25-26H2,1-6H3;2-5H,13H2,1H3,(H2,14,22)/b43-40+,44-41+,45-42+;35-33+,36-34+;33-31+,34-32+;19-18+.
What are the key properties of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 2474.59 g/mol, XLogP of 13.10, 36 rotatable bonds, 9 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1,2-thiazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-3-methyl-1,2-thiazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxylate;methyl 5-[[5-(dimethylamino)-1-[6-[5-(dimethylamino)-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 158385561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).