About [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate
[(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 157223142) has the molecular formula C135H165Br5N34O29S
and a molecular weight of 3159.60 g/mol. Its IUPAC name is [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The IUPAC name of [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 157223142) is [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate.
What is the SMILES notation for [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The canonical SMILES for [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate is CN(Cc1ccc(-c2nnc(-c3nc(Br)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)cc1)C(=O)OC(C)(C)C.CN(Cc1ccc(-c2nnc(-c3nc(N4C[C@@H]5CCC(O)[C@@H]5C4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)cc1)C(=O)OC(C)(C)C.CN(Cc1ccc(-c2nnc(-c3nc(N4C[C@@H]5CCC(OS(C)(=O)=O)[C@@H]5C4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)cc1)C(=O)OC(C)(C)C.CNCc1ccc(-c2nnc(-c3nc(Br)cnc3N)o2)cc1.COC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1-c1nnc(-c2ccc(CBr)cc2)o1.
What is the InChIKey of [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The InChIKey is ATFQZNNEMNTMNJ-SEQGFZOSSA-N. The full InChI is InChI=1S/C37H51N7O10S.C36H49N7O8.C29H37BrN6O7.C14H13BrN6O.C13H9Br2N5O.C6H6BrN3O2/c1-35(2,3)51-32(45)42(10)19-22-12-14-23(15-13-22)30-40-41-31(50-30)28-29(44(33(46)52-36(4,5)6)34(47)53-37(7,8)9)38-18-27(39-28)43-20-24-16-17-26(25(24)21-43)54-55(11,48)49;1-34(2,3)49-31(45)41(10)18-21-11-13-22(14-12-21)29-39-40-30(48-29)27-28(43(32(46)50-35(4,5)6)33(47)51-36(7,8)9)37-17-26(38-27)42-19-23-15-16-25(44)24(23)20-42;1-27(2,3)41-24(37)35(10)16-17-11-13-18(14-12-17)22-33-34-23(40-22)20-21(31-15-19(30)32-20)36(25(38)42-28(4,5)6)26(39)43-29(7,8)9;1-17-6-8-2-4-9(5-3-8)13-20-21-14(22-13)11-12(16)18-7-10(15)19-11;14-5-7-1-3-8(4-2-7)12-19-20-13(21-12)10-11(16)17-6-9(15)18-10;1-12-6(11)4-5(8)9-2-3(7)10-4/h12-15,18,24-26H,16-17,19-21H2,1-11H3;11-14,17,23-25,44H,15-16,18-20H2,1-10H3;11-15H,16H2,1-10H3;2-5,7,17H,6H2,1H3,(H2,16,18);1-4,6H,5H2,(H2,16,17);2H,1H3,(H2,8,9)/t24-,25+,26?;23-,24+,25?;;;;/m00..../s1.
What are the key properties of [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
[(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 3159.60 g/mol, XLogP of 26.17, 27 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] methanesulfonate;5-bromo-3-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-bromo-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl N-[[4-[5-[6-[(3aS,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 157223142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).