6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine

C249H303Cl2F3N52O34S8 — CID 161060840

IUPAC6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine
SMILESCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2n(n1)N=C(c1ccccc1)/C2=N/c1ccc(N2CCOCC2)cc1-c1ccccc1.CCN(CCNS(C)(=O)=O)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(NS(=O)Oc5cc(NS(=O)Oc6cc(C(C)(C)CC(C)(C)C)ccc6C)ccc5C)cc4)nc32)cc1.CCOC(=O)CN(CC(=O)OCC)c1ccc(/N=C2/C(n3nc(C)cc3C)=Nn3nc(CCNC(=O)CCC(=O)OC)nc32)c(C(=O)OCC)c1.CN1CCOc2cc(/N=C3\C(C=O)=Nn4ncnc43)ccc21.COc1cc2c(cc1/N=C1\C(C)=Nn3nc(CCNS(=O)Oc4cc(C(C)(C)C)ccc4OCCCCCCCC(=O)O)nc31)C(C)CC(C)(C)N2C.Cc1cc(Cl)c(/N=C2/C(C(C)(C)C)=Nn3nc(C(C)(C)CNS(=O)Oc4cc(C(C)(C)C)ccc4C)nc32)cc1Cl.Cc1ccc(NS(=O)Oc2cc(C(C)(C)CC(C)(C)C)ccc2C)cc1OS(=O)Nc1ccc(-c2nc3n(n2)N=C(C(C)(C)C)/C3=N/c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C47H55F3N8O5S2.C47H61N9O6S3.C39H55N7O6S.C39H41N7O4S.C33H41N9O9.C30H38Cl2N6O2S.C14H12N6O2/c1-29-11-15-32(46(9,10)28-44(3,4)5)25-38(29)62-65(60)56-35-16-12-30(2)39(27-35)63-64(59)55-33-17-13-31(14-18-33)42-52-43-40(41(45(6,7)8)53-58(43)54-42)51-34-19-20-37(36(26-34)47(48,49)50)57-21-23-61-24-22-57;1-13-55(27-26-48-65(12,59)60)38-24-22-35(23-25-38)49-41-42(46(7,8)9)51-56-44(41)50-43(52-56)33-16-20-36(21-17-33)53-63(57)62-40-29-37(19-15-32(40)3)54-64(58)61-39-28-34(18-14-31(39)2)47(10,11)30-45(4,5)6;1-25-24-39(6,7)45(8)30-23-32(50-9)29(22-28(25)30)41-36-26(2)43-46-37(36)42-34(44-46)18-19-40-53(49)52-33-21-27(38(3,4)5)16-17-31(33)51-20-14-12-10-11-13-15-35(47)48;1-4-21-49-34-18-15-27(2)24-35(34)50-51(47)40-26-28(3)38-42-39-37(36(43-46(39)44-38)30-13-9-6-10-14-30)41-33-17-16-31(45-19-22-48-23-20-45)25-32(33)29-11-7-5-8-12-29;1-7-49-28(45)18-40(19-29(46)50-8-2)22-10-11-24(23(17-22)33(47)51-9-3)35-30-31-36-25(14-15-34-26(43)12-13-27(44)48-6)38-42(31)39-32(30)41-21(5)16-20(4)37-41;1-17-11-12-19(28(3,4)5)14-23(17)40-41(39)33-16-30(9,10)27-35-26-24(25(29(6,7)8)36-38(26)37-27)34-22-15-20(31)18(2)13-21(22)32;1-19-4-5-22-12-6-9(2-3-11(12)19)17-13-10(7-21)18-20-14(13)15-8-16-20/h11-20,25-27,55-56H,21-24,28H2,1-10H3;14-25,28-29,48,53-54H,13,26-27,30H2,1-12H3;16-17,21-23,25,40H,10-15,18-20,24H2,1-9H3,(H,47,48);5-18,24-25,28,40H,4,19-23,26H2,1-3H3;10-11,16-17H,7-9,12-15,18-19H2,1-6H3,(H,34,43);11-15,33H,16H2,1-10H3;2-3,6-8H,4-5H2,1H3/b51-40-;49-41-;41-36+;41-37-;35-30+;34-24-;17-13+
InChIKeyUDJHNEBKXJSAGW-DQMSJOLDSA-N
MW4952.93 g/mol
LogP43.41
Rot. Bonds86

About 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine

6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine (PubChem CID 161060840) has the molecular formula C249H303Cl2F3N52O34S8 and a molecular weight of 4952.93 g/mol. Its IUPAC name is 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine.

Molecular Properties

Compound Name6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine
PubChem CID161060840
Molecular FormulaC249H303Cl2F3N52O34S8
Molecular Weight4952.93 g/mol
Exact Mass4948.07
IUPAC Name6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine
SMILESCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2n(n1)N=C(c1ccccc1)/C2=N/c1ccc(N2CCOCC2)cc1-c1ccccc1.CCN(CCNS(C)(=O)=O)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(NS(=O)Oc5cc(NS(=O)Oc6cc(C(C)(C)CC(C)(C)C)ccc6C)ccc5C)cc4)nc32)cc1.CCOC(=O)CN(CC(=O)OCC)c1ccc(/N=C2/C(n3nc(C)cc3C)=Nn3nc(CCNC(=O)CCC(=O)OC)nc32)c(C(=O)OCC)c1.CN1CCOc2cc(/N=C3\C(C=O)=Nn4ncnc43)ccc21.COc1cc2c(cc1/N=C1\C(C)=Nn3nc(CCNS(=O)Oc4cc(C(C)(C)C)ccc4OCCCCCCCC(=O)O)nc31)C(C)CC(C)(C)N2C.Cc1cc(Cl)c(/N=C2/C(C(C)(C)C)=Nn3nc(C(C)(C)CNS(=O)Oc4cc(C(C)(C)C)ccc4C)nc32)cc1Cl.Cc1ccc(NS(=O)Oc2cc(C(C)(C)CC(C)(C)C)ccc2C)cc1OS(=O)Nc1ccc(-c2nc3n(n2)N=C(C(C)(C)C)/C3=N/c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C47H55F3N8O5S2.C47H61N9O6S3.C39H55N7O6S.C39H41N7O4S.C33H41N9O9.C30H38Cl2N6O2S.C14H12N6O2/c1-29-11-15-32(46(9,10)28-44(3,4)5)25-38(29)62-65(60)56-35-16-12-30(2)39(27-35)63-64(59)55-33-17-13-31(14-18-33)42-52-43-40(41(45(6,7)8)53-58(43)54-42)51-34-19-20-37(36(26-34)47(48,49)50)57-21-23-61-24-22-57;1-13-55(27-26-48-65(12,59)60)38-24-22-35(23-25-38)49-41-42(46(7,8)9)51-56-44(41)50-43(52-56)33-16-20-36(21-17-33)53-63(57)62-40-29-37(19-15-32(40)3)54-64(58)61-39-28-34(18-14-31(39)2)47(10,11)30-45(4,5)6;1-25-24-39(6,7)45(8)30-23-32(50-9)29(22-28(25)30)41-36-26(2)43-46-37(36)42-34(44-46)18-19-40-53(49)52-33-21-27(38(3,4)5)16-17-31(33)51-20-14-12-10-11-13-15-35(47)48;1-4-21-49-34-18-15-27(2)24-35(34)50-51(47)40-26-28(3)38-42-39-37(36(43-46(39)44-38)30-13-9-6-10-14-30)41-33-17-16-31(45-19-22-48-23-20-45)25-32(33)29-11-7-5-8-12-29;1-7-49-28(45)18-40(19-29(46)50-8-2)22-10-11-24(23(17-22)33(47)51-9-3)35-30-31-36-25(14-15-34-26(43)12-13-27(44)48-6)38-42(31)39-32(30)41-21(5)16-20(4)37-41;1-17-11-12-19(28(3,4)5)14-23(17)40-41(39)33-16-30(9,10)27-35-26-24(25(29(6,7)8)36-38(26)37-27)34-22-15-20(31)18(2)13-21(22)32;1-19-4-5-22-12-6-9(2-3-11(12)19)17-13-10(7-21)18-20-14(13)15-8-16-20/h11-20,25-27,55-56H,21-24,28H2,1-10H3;14-25,28-29,48,53-54H,13,26-27,30H2,1-12H3;16-17,21-23,25,40H,10-15,18-20,24H2,1-9H3,(H,47,48);5-18,24-25,28,40H,4,19-23,26H2,1-3H3;10-11,16-17H,7-9,12-15,18-19H2,1-6H3,(H,34,43);11-15,33H,16H2,1-10H3;2-3,6-8H,4-5H2,1H3/b51-40-;49-41-;41-36+;41-37-;35-30+;34-24-;17-13+
InChIKeyUDJHNEBKXJSAGW-DQMSJOLDSA-N
XLogP43.41
TPSA983.80 Ų
H-Bond Donors10
H-Bond Acceptors76
Rotatable Bonds86
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004952.93
LogP ≤ 543.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1076

Analyze 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine?
The IUPAC name of 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine (CID 161060840) is 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine.
What is the SMILES notation for 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine?
The canonical SMILES for 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine is CCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2n(n1)N=C(c1ccccc1)/C2=N/c1ccc(N2CCOCC2)cc1-c1ccccc1.CCN(CCNS(C)(=O)=O)c1ccc(/N=C2/C(C(C)(C)C)=Nn3nc(-c4ccc(NS(=O)Oc5cc(NS(=O)Oc6cc(C(C)(C)CC(C)(C)C)ccc6C)ccc5C)cc4)nc32)cc1.CCOC(=O)CN(CC(=O)OCC)c1ccc(/N=C2/C(n3nc(C)cc3C)=Nn3nc(CCNC(=O)CCC(=O)OC)nc32)c(C(=O)OCC)c1.CN1CCOc2cc(/N=C3\C(C=O)=Nn4ncnc43)ccc21.COc1cc2c(cc1/N=C1\C(C)=Nn3nc(CCNS(=O)Oc4cc(C(C)(C)C)ccc4OCCCCCCCC(=O)O)nc31)C(C)CC(C)(C)N2C.Cc1cc(Cl)c(/N=C2/C(C(C)(C)C)=Nn3nc(C(C)(C)CNS(=O)Oc4cc(C(C)(C)C)ccc4C)nc32)cc1Cl.Cc1ccc(NS(=O)Oc2cc(C(C)(C)CC(C)(C)C)ccc2C)cc1OS(=O)Nc1ccc(-c2nc3n(n2)N=C(C(C)(C)C)/C3=N/c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine?
The InChIKey is UDJHNEBKXJSAGW-DQMSJOLDSA-N. The full InChI is InChI=1S/C47H55F3N8O5S2.C47H61N9O6S3.C39H55N7O6S.C39H41N7O4S.C33H41N9O9.C30H38Cl2N6O2S.C14H12N6O2/c1-29-11-15-32(46(9,10)28-44(3,4)5)25-38(29)62-65(60)56-35-16-12-30(2)39(27-35)63-64(59)55-33-17-13-31(14-18-33)42-52-43-40(41(45(6,7)8)53-58(43)54-42)51-34-19-20-37(36(26-34)47(48,49)50)57-21-23-61-24-22-57;1-13-55(27-26-48-65(12,59)60)38-24-22-35(23-25-38)49-41-42(46(7,8)9)51-56-44(41)50-43(52-56)33-16-20-36(21-17-33)53-63(57)62-40-29-37(19-15-32(40)3)54-64(58)61-39-28-34(18-14-31(39)2)47(10,11)30-45(4,5)6;1-25-24-39(6,7)45(8)30-23-32(50-9)29(22-28(25)30)41-36-26(2)43-46-37(36)42-34(44-46)18-19-40-53(49)52-33-21-27(38(3,4)5)16-17-31(33)51-20-14-12-10-11-13-15-35(47)48;1-4-21-49-34-18-15-27(2)24-35(34)50-51(47)40-26-28(3)38-42-39-37(36(43-46(39)44-38)30-13-9-6-10-14-30)41-33-17-16-31(45-19-22-48-23-20-45)25-32(33)29-11-7-5-8-12-29;1-7-49-28(45)18-40(19-29(46)50-8-2)22-10-11-24(23(17-22)33(47)51-9-3)35-30-31-36-25(14-15-34-26(43)12-13-27(44)48-6)38-42(31)39-32(30)41-21(5)16-20(4)37-41;1-17-11-12-19(28(3,4)5)14-23(17)40-41(39)33-16-30(9,10)27-35-26-24(25(29(6,7)8)36-38(26)37-27)34-22-15-20(31)18(2)13-21(22)32;1-19-4-5-22-12-6-9(2-3-11(12)19)17-13-10(7-21)18-20-14(13)15-8-16-20/h11-20,25-27,55-56H,21-24,28H2,1-10H3;14-25,28-29,48,53-54H,13,26-27,30H2,1-12H3;16-17,21-23,25,40H,10-15,18-20,24H2,1-9H3,(H,47,48);5-18,24-25,28,40H,4,19-23,26H2,1-3H3;10-11,16-17H,7-9,12-15,18-19H2,1-6H3,(H,34,43);11-15,33H,16H2,1-10H3;2-3,6-8H,4-5H2,1H3/b51-40-;49-41-;41-36+;41-37-;35-30+;34-24-;17-13+.
What are the key properties of 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine?
6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine has a molecular weight of 4952.93 g/mol, XLogP of 43.41, 86 rotatable bonds, 10 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[1-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-2-methylpropan-2-yl]-7-(2,5-dichloro-4-methylphenyl)iminopyrazolo[1,5-b][1,2,4]triazole;8-[4-tert-butyl-2-[2-[7-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)imino]-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]ethylsulfinamoyloxy]phenoxy]octanoic acid;N-[2-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N-ethylanilino]ethyl]methanesulfonamide;4-[4-[[6-tert-butyl-2-[4-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-2-(trifluoromethyl)phenyl]morpholine;ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-2-[[6-(3,5-dimethylpyrazol-1-yl)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]ethyl]pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]benzoate;7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)imino]pyrazolo[1,5-b][1,2,4]triazole-6-carbaldehyde;4-[4-[[2-[1-[(5-methyl-2-propoxyphenoxy)sulfinylamino]propan-2-yl]-6-phenylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-3-phenylphenyl]morpholine is sourced from PubChem (CID 161060840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).