4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C223H214F22N80O14 — CID 159730227

IUPAC4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NC(=O)COc1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4)n(C)n3)ccc2C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)c1C
InChIInChI=1S/C21H20F3N7O.3C21H21F2N7O2.C21H22N8O2.C20H16F5N7O.C20H20F3N7O.C20H18N8O.C20H21N7.C19H17F3N8O.C19H17F2N7O/c1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-11(2)25-17(31)10-32-16-7-5-14(18(22)19(16)23)20-27-21(30(3)29-20)26-13-4-6-15-12(8-13)9-24-28-15;1-11(2)25-18(31)10-32-19-15(22)7-12(8-16(19)23)20-27-21(30(3)29-20)26-14-4-5-17-13(6-14)9-24-28-17;1-11(2)25-19(31)10-32-18-8-15(22)14(7-16(18)23)20-27-21(30(3)29-20)26-13-4-5-17-12(6-13)9-24-28-17;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14(9-24)15(25)7-8-16(11)27-19-28-17(29-30(19)2)12-3-5-13(6-4-12)18(31)26-10-20(21,22)23;1-3-22-19(29)16-6-4-12(8-13(16)10-21)18-25-20(28(2)27-18)24-15-5-7-17-14(9-15)11-23-26-17;1-26-8-7-13-9-14(3-4-15(13)12-26)19-23-20(27(2)25-19)22-17-5-6-18-16(10-17)11-21-24-18;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-3-22-18(29)10-7-13(20)16(14(21)8-10)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15/h4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);3*4-9,11H,10H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9,24H,10,25H2,1-2H3,(H,26,31)(H,27,28,29);4-9,11H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)(H,22,23,25);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27)/b;;;;;;24-9+;;;;
InChIKeyNBDLPISGXJIRES-MUBKTPTESA-N
MW4656.67 g/mol
LogP36.00
Rot. Bonds61

About 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159730227) has the molecular formula C223H214F22N80O14 and a molecular weight of 4656.67 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159730227
Molecular FormulaC223H214F22N80O14
Molecular Weight4656.67 g/mol
Exact Mass4653.81
IUPAC Name4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NC(=O)COc1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4)n(C)n3)ccc2C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)c1C
InChIInChI=1S/C21H20F3N7O.3C21H21F2N7O2.C21H22N8O2.C20H16F5N7O.C20H20F3N7O.C20H18N8O.C20H21N7.C19H17F3N8O.C19H17F2N7O/c1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-11(2)25-17(31)10-32-16-7-5-14(18(22)19(16)23)20-27-21(30(3)29-20)26-13-4-6-15-12(8-13)9-24-28-15;1-11(2)25-18(31)10-32-19-15(22)7-12(8-16(19)23)20-27-21(30(3)29-20)26-14-4-5-17-13(6-14)9-24-28-17;1-11(2)25-19(31)10-32-18-8-15(22)14(7-16(18)23)20-27-21(30(3)29-20)26-13-4-5-17-12(6-13)9-24-28-17;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14(9-24)15(25)7-8-16(11)27-19-28-17(29-30(19)2)12-3-5-13(6-4-12)18(31)26-10-20(21,22)23;1-3-22-19(29)16-6-4-12(8-13(16)10-21)18-25-20(28(2)27-18)24-15-5-7-17-14(9-15)11-23-26-17;1-26-8-7-13-9-14(3-4-15(13)12-26)19-23-20(27(2)25-19)22-17-5-6-18-16(10-17)11-21-24-18;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-3-22-18(29)10-7-13(20)16(14(21)8-10)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15/h4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);3*4-9,11H,10H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9,24H,10,25H2,1-2H3,(H,26,31)(H,27,28,29);4-9,11H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)(H,22,23,25);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27)/b;;;;;;24-9+;;;;
InChIKeyNBDLPISGXJIRES-MUBKTPTESA-N
XLogP36.00
TPSA1187.54 Ų
H-Bond Donors33
H-Bond Acceptors74
Rotatable Bonds61
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004656.67
LogP ≤ 536.00
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1074

Analyze 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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What is the IUPAC name of 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159730227) is 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is CC(C)NC(=O)COc1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4)n(C)n3)ccc2C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)c1C.
What is the InChIKey of 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NBDLPISGXJIRES-MUBKTPTESA-N. The full InChI is InChI=1S/C21H20F3N7O.3C21H21F2N7O2.C21H22N8O2.C20H16F5N7O.C20H20F3N7O.C20H18N8O.C20H21N7.C19H17F3N8O.C19H17F2N7O/c1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-11(2)25-17(31)10-32-16-7-5-14(18(22)19(16)23)20-27-21(30(3)29-20)26-13-4-6-15-12(8-13)9-24-28-15;1-11(2)25-18(31)10-32-19-15(22)7-12(8-16(19)23)20-27-21(30(3)29-20)26-14-4-5-17-13(6-14)9-24-28-17;1-11(2)25-19(31)10-32-18-8-15(22)14(7-16(18)23)20-27-21(30(3)29-20)26-13-4-5-17-12(6-13)9-24-28-17;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14(9-24)15(25)7-8-16(11)27-19-28-17(29-30(19)2)12-3-5-13(6-4-12)18(31)26-10-20(21,22)23;1-3-22-19(29)16-6-4-12(8-13(16)10-21)18-25-20(28(2)27-18)24-15-5-7-17-14(9-15)11-23-26-17;1-26-8-7-13-9-14(3-4-15(13)12-26)19-23-20(27(2)25-19)22-17-5-6-18-16(10-17)11-21-24-18;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-3-22-18(29)10-7-13(20)16(14(21)8-10)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15/h4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);3*4-9,11H,10H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9,24H,10,25H2,1-2H3,(H,26,31)(H,27,28,29);4-9,11H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)(H,22,23,25);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27)/b;;;;;;24-9+;;;;.
What are the key properties of 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 4656.67 g/mol, XLogP of 36.00, 61 rotatable bonds, 33 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methanimidoyl-2-methylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-cyano-N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2-[2,3-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-3,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-[2-methyl-5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159730227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).