About 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate
5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate (PubChem CID 157438892) has the molecular formula C205H315F3N42O14
and a molecular weight of 3649.05 g/mol. Its IUPAC name is 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate.
Frequently Asked Questions
What is the IUPAC name of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate?
The IUPAC name of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate (CID 157438892) is 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate.
What is the SMILES notation for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate?
The canonical SMILES for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate is CCCCC(CC)CN(C(=O)c1cc(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c5)c4N)ncn3)c2N)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c1)C(CC)CCCC.CCCCC(CC)COC(=O)c1cc(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)OCC(CC)CCCC)cc(C(=O)OC(CC)CCCC)c5)c4N)ncn3)c2N)cc(C(=O)OCC(CC)CCCC)c1.CCCCN(CC)C(=O)c1cccc(C)c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(=O)N(CC)CCCC)cccc4C(F)(F)F)c3N)ncn2)c1N.
What is the InChIKey of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate?
The InChIKey is BRKVINHTSDPFGK-GGVUCEKWSA-N. The full InChI is InChI=1S/C94H158N16O4.C65H96N12O8.C46H61F3N14O2/c1-23-39-47-67(31-9)62-105(77(35-13)51-43-27-5)89(111)71-55-72(90(112)106(78(36-14)52-44-28-6)63-68(32-10)48-40-24-2)58-75(57-71)99-101-83-85(93(17,18)19)103-109(87(83)95)81-61-82(98-66-97-81)110-88(96)84(86(104-110)94(20,21)22)102-100-76-59-73(91(113)107(79(37-15)53-45-29-7)64-69(33-11)49-41-25-3)56-74(60-76)92(114)108(80(38-16)54-46-30-8)65-70(34-12)50-42-26-4;1-15-23-27-42(19-5)38-82-60(78)45-31-46(61(79)83-39-43(20-6)28-24-16-2)34-49(33-45)70-72-54-56(64(9,10)11)74-76(58(54)66)52-37-53(69-41-68-52)77-59(67)55(57(75-77)65(12,13)14)73-71-50-35-47(62(80)84-40-44(21-7)29-25-17-3)32-48(36-50)63(81)85-51(22-8)30-26-18-4;1-12-16-24-60(14-3)42(64)29-21-18-20-28(5)34(29)54-56-36-38(44(6,7)8)58-62(40(36)50)32-26-33(53-27-52-32)63-41(51)37(39(59-63)45(9,10)11)57-55-35-30(22-19-23-31(35)46(47,48)49)43(65)61(15-4)25-17-13-2/h55-61,66-70,77-80H,23-54,62-65,95-96H2,1-22H3;31-37,41-44,51H,15-30,38-40,66-67H2,1-14H3;18-23,26-27H,12-17,24-25,50-51H2,1-11H3/b101-99+,102-100+;72-70+,73-71+;56-54+,57-55+.
What are the key properties of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate?
5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate has a molecular weight of 3649.05 g/mol, XLogP of 53.92, 103 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 157438892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).