[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C337H354Cl2N86O23S7 — CID 159292991

IUPAC[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1
InChIInChI=1S/C28H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H28N6O3S2.C25H28N6O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C23H22N4O2.C20H19N5O2.C16H13N5/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-13H,1-4H3,(H,24,25,27);5-10H,1-4H3,(H,21,22,24);2-8,18H,1H3,(H2,17,19,21)
InChIKeyLAIZOIBJKQFSNJ-UHFFFAOYSA-N
MW6272.49 g/mol
LogP59.49
Rot. Bonds83

About [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 159292991) has the molecular formula C337H354Cl2N86O23S7 and a molecular weight of 6272.49 g/mol. Its IUPAC name is [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID159292991
Molecular FormulaC337H354Cl2N86O23S7
Molecular Weight6272.49 g/mol
Exact Mass6266.66
IUPAC Name[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1
InChIInChI=1S/C28H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H28N6O3S2.C25H28N6O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C23H22N4O2.C20H19N5O2.C16H13N5/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-13H,1-4H3,(H,24,25,27);5-10H,1-4H3,(H,21,22,24);2-8,18H,1H3,(H2,17,19,21)
InChIKeyLAIZOIBJKQFSNJ-UHFFFAOYSA-N
XLogP59.49
TPSA1296.17 Ų
H-Bond Donors22
H-Bond Acceptors102
Rotatable Bonds83
Heavy Atoms455
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006272.49
LogP ≤ 559.49
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 10102

Analyze [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide with MolForge

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What is the IUPAC name of [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 159292991) is [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1.
What is the InChIKey of [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is LAIZOIBJKQFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H28N6O3S2.C25H28N6O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C23H22N4O2.C20H19N5O2.C16H13N5/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-13H,1-4H3,(H,24,25,27);5-10H,1-4H3,(H,21,22,24);2-8,18H,1H3,(H2,17,19,21).
What are the key properties of [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 6272.49 g/mol, XLogP of 59.49, 83 rotatable bonds, 22 hydrogen bond donors, and 102 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 159292991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).