4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C203H213Cl2F4N75O16 — CID 160745917

IUPAC4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(Cl)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3Cl)nn2C)ccc1N
InChIInChI=1S/C23H26N8O2.C23H28N8O2.C22H23N7O2.C20H20N8O2.C20H22N8O2.2C19H20ClN7O.C19H17F3N8O2.C19H18FN7O.C19H19N7O/c1-13-17-10-24-28-19(17)8-7-18(13)26-23-27-21(29-31(23)3)14-5-6-16(20(9-14)33-4)22(32)25-15-11-30(2)12-15;1-14-17-13-25-28-19(17)9-8-18(14)26-23-27-21(29-31(23)4)15-6-7-16(20(12-15)33-5)22(32)24-10-11-30(2)3;1-12-8-18-14(11-23-27-18)9-17(12)25-22-26-20(28-29(22)2)13-4-7-16(19(10-13)31-3)21(30)24-15-5-6-15;1-28-20(24-14-7-12-9-22-26-17(12)21-10-14)25-18(27-28)11-3-6-15(16(8-11)30-2)19(29)23-13-4-5-13;1-11(2)23-19(29)15-6-5-12(8-16(15)30-4)18-25-20(28(3)27-18)24-14-7-13-9-22-26-17(13)21-10-14;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-3-23-18(28)14-6-4-11(9-15(14)20)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-30-18(26-12-5-11-7-25-28-15(11)23-8-12)27-16(29-30)10-3-4-13(14(6-10)32-2)17(31)24-9-19(20,21)22;1-3-21-18(28)14-6-4-11(9-15(14)20)17-24-19(27(2)26-17)23-13-5-7-16-12(8-13)10-22-25-16;1-3-20-18(27)13-6-4-12(5-7-13)17-23-19(26(2)25-17)22-15-8-9-16-14(10-15)11-21-24-16/h5-10,15H,11-12H2,1-4H3,(H,24,28)(H,25,32)(H,26,27,29);6-9,12-13H,10-11H2,1-5H3,(H,24,32)(H,25,28)(H,26,27,29);4,7-11,15H,5-6H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3,6-10,13H,4-5H2,1-2H3,(H,23,29)(H,21,22,26)(H,24,25,27);5-11H,1-4H3,(H,23,29)(H,21,22,26)(H,24,25,27);2*4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26);3-8H,9H2,1-2H3,(H,24,31)(H,23,25,28)(H,26,27,29);4-10H,3H2,1-2H3,(H,21,28)(H,22,25)(H,23,24,26);4-11H,3H2,1-2H3,(H,20,27)(H,21,24)(H,22,23,25)/b;;;;;2*21-10+;;;
InChIKeyRWENCAHSHFLLOL-FOVZAFSOSA-N
MW4106.34 g/mol
LogP28.58
Rot. Bonds60

About 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 160745917) has the molecular formula C203H213Cl2F4N75O16 and a molecular weight of 4106.34 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID160745917
Molecular FormulaC203H213Cl2F4N75O16
Molecular Weight4106.34 g/mol
Exact Mass4102.75
IUPAC Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(Cl)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3Cl)nn2C)ccc1N
InChIInChI=1S/C23H26N8O2.C23H28N8O2.C22H23N7O2.C20H20N8O2.C20H22N8O2.2C19H20ClN7O.C19H17F3N8O2.C19H18FN7O.C19H19N7O/c1-13-17-10-24-28-19(17)8-7-18(13)26-23-27-21(29-31(23)3)14-5-6-16(20(9-14)33-4)22(32)25-15-11-30(2)12-15;1-14-17-13-25-28-19(17)9-8-18(14)26-23-27-21(29-31(23)4)15-6-7-16(20(12-15)33-5)22(32)24-10-11-30(2)3;1-12-8-18-14(11-23-27-18)9-17(12)25-22-26-20(28-29(22)2)13-4-7-16(19(10-13)31-3)21(30)24-15-5-6-15;1-28-20(24-14-7-12-9-22-26-17(12)21-10-14)25-18(27-28)11-3-6-15(16(8-11)30-2)19(29)23-13-4-5-13;1-11(2)23-19(29)15-6-5-12(8-16(15)30-4)18-25-20(28(3)27-18)24-14-7-13-9-22-26-17(13)21-10-14;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-3-23-18(28)14-6-4-11(9-15(14)20)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-30-18(26-12-5-11-7-25-28-15(11)23-8-12)27-16(29-30)10-3-4-13(14(6-10)32-2)17(31)24-9-19(20,21)22;1-3-21-18(28)14-6-4-11(9-15(14)20)17-24-19(27(2)26-17)23-13-5-7-16-12(8-13)10-22-25-16;1-3-20-18(27)13-6-4-12(5-7-13)17-23-19(26(2)25-17)22-15-8-9-16-14(10-15)11-21-24-16/h5-10,15H,11-12H2,1-4H3,(H,24,28)(H,25,32)(H,26,27,29);6-9,12-13H,10-11H2,1-5H3,(H,24,32)(H,25,28)(H,26,27,29);4,7-11,15H,5-6H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3,6-10,13H,4-5H2,1-2H3,(H,23,29)(H,21,22,26)(H,24,25,27);5-11H,1-4H3,(H,23,29)(H,21,22,26)(H,24,25,27);2*4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26);3-8H,9H2,1-2H3,(H,24,31)(H,23,25,28)(H,26,27,29);4-10H,3H2,1-2H3,(H,21,28)(H,22,25)(H,23,24,26);4-11H,3H2,1-2H3,(H,20,27)(H,21,24)(H,22,23,25)/b;;;;;2*21-10+;;;
InChIKeyRWENCAHSHFLLOL-FOVZAFSOSA-N
XLogP28.58
TPSA1148.11 Ų
H-Bond Donors32
H-Bond Acceptors73
Rotatable Bonds60
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004106.34
LogP ≤ 528.58
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1073

Analyze 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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CID 158508023

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 160745917) is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(Cl)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3Cl)nn2C)ccc1N.
What is the InChIKey of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RWENCAHSHFLLOL-FOVZAFSOSA-N. The full InChI is InChI=1S/C23H26N8O2.C23H28N8O2.C22H23N7O2.C20H20N8O2.C20H22N8O2.2C19H20ClN7O.C19H17F3N8O2.C19H18FN7O.C19H19N7O/c1-13-17-10-24-28-19(17)8-7-18(13)26-23-27-21(29-31(23)3)14-5-6-16(20(9-14)33-4)22(32)25-15-11-30(2)12-15;1-14-17-13-25-28-19(17)9-8-18(14)26-23-27-21(29-31(23)4)15-6-7-16(20(12-15)33-5)22(32)24-10-11-30(2)3;1-12-8-18-14(11-23-27-18)9-17(12)25-22-26-20(28-29(22)2)13-4-7-16(19(10-13)31-3)21(30)24-15-5-6-15;1-28-20(24-14-7-12-9-22-26-17(12)21-10-14)25-18(27-28)11-3-6-15(16(8-11)30-2)19(29)23-13-4-5-13;1-11(2)23-19(29)15-6-5-12(8-16(15)30-4)18-25-20(28(3)27-18)24-14-7-13-9-22-26-17(13)21-10-14;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-3-23-18(28)14-6-4-11(9-15(14)20)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21;1-30-18(26-12-5-11-7-25-28-15(11)23-8-12)27-16(29-30)10-3-4-13(14(6-10)32-2)17(31)24-9-19(20,21)22;1-3-21-18(28)14-6-4-11(9-15(14)20)17-24-19(27(2)26-17)23-13-5-7-16-12(8-13)10-22-25-16;1-3-20-18(27)13-6-4-12(5-7-13)17-23-19(26(2)25-17)22-15-8-9-16-14(10-15)11-21-24-16/h5-10,15H,11-12H2,1-4H3,(H,24,28)(H,25,32)(H,26,27,29);6-9,12-13H,10-11H2,1-5H3,(H,24,32)(H,25,28)(H,26,27,29);4,7-11,15H,5-6H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3,6-10,13H,4-5H2,1-2H3,(H,23,29)(H,21,22,26)(H,24,25,27);5-11H,1-4H3,(H,23,29)(H,21,22,26)(H,24,25,27);2*4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26);3-8H,9H2,1-2H3,(H,24,31)(H,23,25,28)(H,26,27,29);4-10H,3H2,1-2H3,(H,21,28)(H,22,25)(H,23,24,26);4-11H,3H2,1-2H3,(H,20,27)(H,21,24)(H,22,23,25)/b;;;;;2*21-10+;;;.
What are the key properties of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 4106.34 g/mol, XLogP of 28.58, 60 rotatable bonds, 32 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-chloro-N-ethylbenzamide;4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-chloro-N-ethylbenzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;2-methoxy-N-(1-methylazetidin-3-yl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 160745917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).