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

C196H206ClF4N59O16 — CID 159487945

IUPAC3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H27N7O2.C24H29N7O2.C23H24N6O2.C23H26N6O2.C21H21N7O2.C21H23N7O2.C20H19ClN6O.C20H18F3N7O2.C20H19FN6O/c1-14-15(6-8-20-19(14)11-25-28-20)10-22-27-23(29-31(22)3)16-5-7-18(21(9-16)33-4)24(32)26-17-12-30(2)13-17;1-15-16(7-9-20-19(15)14-26-28-20)13-22-27-23(29-31(22)4)17-6-8-18(21(12-17)33-5)24(32)25-10-11-30(2)3;1-13-8-19-16(12-24-27-19)9-15(13)11-21-26-22(28-29(21)2)14-4-7-18(20(10-14)31-3)23(30)25-17-5-6-17;1-13(2)25-23(30)18-7-6-15(10-20(18)31-5)22-26-21(29(4)28-22)11-16-9-17-12-24-27-19(17)8-14(16)3;1-28-18(8-12-7-14-11-23-26-19(14)22-10-12)25-20(27-28)13-3-6-16(17(9-13)30-2)21(29)24-15-4-5-15;1-12(2)24-21(29)16-6-5-14(9-17(16)30-4)20-25-18(28(3)27-20)8-13-7-15-11-23-26-19(15)22-10-13;1-3-22-20(28)13-5-6-15(16(21)10-13)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17;1-30-16(6-11-5-13-9-26-28-17(13)24-8-11)27-18(29-30)12-3-4-14(15(7-12)32-2)19(31)25-10-20(21,22)23;1-3-22-20(28)15-6-5-13(10-16(15)21)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17/h5-9,11,17H,10,12-13H2,1-4H3,(H,25,28)(H,26,32);6-9,12,14H,10-11,13H2,1-5H3,(H,25,32)(H,26,28);4,7-10,12,17H,5-6,11H2,1-3H3,(H,24,27)(H,25,30);6-10,12-13H,11H2,1-5H3,(H,24,27)(H,25,30);3,6-7,9-11,15H,4-5,8H2,1-2H3,(H,24,29)(H,22,23,26);5-7,9-12H,8H2,1-4H3,(H,24,29)(H,22,23,26);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25);3-5,7-9H,6,10H2,1-2H3,(H,25,31)(H,24,26,28);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25)
InChIKeyLXUZFMPYNJFRNO-UHFFFAOYSA-N
MW3755.65 g/mol
LogP25.00
Rot. Bonds54

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

3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159487945) has the molecular formula C196H206ClF4N59O16 and a molecular weight of 3755.65 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159487945
Molecular FormulaC196H206ClF4N59O16
Molecular Weight3755.65 g/mol
Exact Mass3752.67
IUPAC Name3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H27N7O2.C24H29N7O2.C23H24N6O2.C23H26N6O2.C21H21N7O2.C21H23N7O2.C20H19ClN6O.C20H18F3N7O2.C20H19FN6O/c1-14-15(6-8-20-19(14)11-25-28-20)10-22-27-23(29-31(22)3)16-5-7-18(21(9-16)33-4)24(32)26-17-12-30(2)13-17;1-15-16(7-9-20-19(15)14-26-28-20)13-22-27-23(29-31(22)4)17-6-8-18(21(12-17)33-5)24(32)25-10-11-30(2)3;1-13-8-19-16(12-24-27-19)9-15(13)11-21-26-22(28-29(21)2)14-4-7-18(20(10-14)31-3)23(30)25-17-5-6-17;1-13(2)25-23(30)18-7-6-15(10-20(18)31-5)22-26-21(29(4)28-22)11-16-9-17-12-24-27-19(17)8-14(16)3;1-28-18(8-12-7-14-11-23-26-19(14)22-10-12)25-20(27-28)13-3-6-16(17(9-13)30-2)21(29)24-15-4-5-15;1-12(2)24-21(29)16-6-5-14(9-17(16)30-4)20-25-18(28(3)27-20)8-13-7-15-11-23-26-19(15)22-10-13;1-3-22-20(28)13-5-6-15(16(21)10-13)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17;1-30-16(6-11-5-13-9-26-28-17(13)24-8-11)27-18(29-30)12-3-4-14(15(7-12)32-2)19(31)25-10-20(21,22)23;1-3-22-20(28)15-6-5-13(10-16(15)21)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17/h5-9,11,17H,10,12-13H2,1-4H3,(H,25,28)(H,26,32);6-9,12,14H,10-11,13H2,1-5H3,(H,25,32)(H,26,28);4,7-10,12,17H,5-6,11H2,1-3H3,(H,24,27)(H,25,30);6-10,12-13H,11H2,1-5H3,(H,24,27)(H,25,30);3,6-7,9-11,15H,4-5,8H2,1-2H3,(H,24,29)(H,22,23,26);5-7,9-12H,8H2,1-4H3,(H,24,29)(H,22,23,26);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25);3-5,7-9H,6,10H2,1-2H3,(H,25,31)(H,24,26,28);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25)
InChIKeyLXUZFMPYNJFRNO-UHFFFAOYSA-N
XLogP25.00
TPSA906.17 Ų
H-Bond Donors18
H-Bond Acceptors57
Rotatable Bonds54
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003755.65
LogP ≤ 525.00
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1057

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159487945) is 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC1CN(C)C1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCCN(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LXUZFMPYNJFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C24H29N7O2.C23H24N6O2.C23H26N6O2.C21H21N7O2.C21H23N7O2.C20H19ClN6O.C20H18F3N7O2.C20H19FN6O/c1-14-15(6-8-20-19(14)11-25-28-20)10-22-27-23(29-31(22)3)16-5-7-18(21(9-16)33-4)24(32)26-17-12-30(2)13-17;1-15-16(7-9-20-19(15)14-26-28-20)13-22-27-23(29-31(22)4)17-6-8-18(21(12-17)33-5)24(32)25-10-11-30(2)3;1-13-8-19-16(12-24-27-19)9-15(13)11-21-26-22(28-29(21)2)14-4-7-18(20(10-14)31-3)23(30)25-17-5-6-17;1-13(2)25-23(30)18-7-6-15(10-20(18)31-5)22-26-21(29(4)28-22)11-16-9-17-12-24-27-19(17)8-14(16)3;1-28-18(8-12-7-14-11-23-26-19(14)22-10-12)25-20(27-28)13-3-6-16(17(9-13)30-2)21(29)24-15-4-5-15;1-12(2)24-21(29)16-6-5-14(9-17(16)30-4)20-25-18(28(3)27-20)8-13-7-15-11-23-26-19(15)22-10-13;1-3-22-20(28)13-5-6-15(16(21)10-13)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17;1-30-16(6-11-5-13-9-26-28-17(13)24-8-11)27-18(29-30)12-3-4-14(15(7-12)32-2)19(31)25-10-20(21,22)23;1-3-22-20(28)15-6-5-13(10-16(15)21)19-24-18(27(2)26-19)9-12-4-7-17-14(8-12)11-23-25-17/h5-9,11,17H,10,12-13H2,1-4H3,(H,25,28)(H,26,32);6-9,12,14H,10-11,13H2,1-5H3,(H,25,32)(H,26,28);4,7-10,12,17H,5-6,11H2,1-3H3,(H,24,27)(H,25,30);6-10,12-13H,11H2,1-5H3,(H,24,27)(H,25,30);3,6-7,9-11,15H,4-5,8H2,1-2H3,(H,24,29)(H,22,23,26);5-7,9-12H,8H2,1-4H3,(H,24,29)(H,22,23,26);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25);3-5,7-9H,6,10H2,1-2H3,(H,25,31)(H,24,26,28);4-8,10-11H,3,9H2,1-2H3,(H,22,28)(H,23,25).
What are the key properties of 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3755.65 g/mol, XLogP of 25.00, 54 rotatable bonds, 18 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-cyclopropyl-2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]benzamide;N-[2-(dimethylamino)ethyl]-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;N-ethyl-2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-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)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159487945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).