tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid

C365H357F24N81O56 — CID 159073939

IUPACtert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESC.C=C(O)[C@@H](C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](CC)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](Cc1ccccc1)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)CNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.CC(=O)[C@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(N)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.O=C(Nc1ccc(-c2nnc3c(C(=O)NC4(C(=O)O)CCCC4)cccn23)cc1)Nc1ccccc1OC(F)(F)F.O=C(O)CCNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12
InChIInChI=1S/C31H25F3N6O4.2C28H27F3N6O4.C28H30N6O4.C27H23F3N6O5.2C27H28N6O3.C26H23F3N6O4.C25H21F3N6O4.C25H31N5O5.C24H19F3N6O5.C24H19F3N6O4.C24H29N5O4.C20H23N5O3.CH4/c1-19(41)25(18-20-8-3-2-4-9-20)36-29(42)23-10-7-17-40-27(38-39-28(23)40)21-13-15-22(16-14-21)35-30(43)37-24-11-5-6-12-26(24)44-31(32,33)34;2*1-16(2)15-22(17(3)38)33-26(39)20-7-6-14-37-24(35-36-25(20)37)18-10-12-19(13-11-18)32-27(40)34-21-8-4-5-9-23(21)41-28(29,30)31;1-5-38-27(36)23(17(2)3)31-26(35)21-10-8-16-34-24(32-33-25(21)34)19-12-14-20(15-13-19)29-28(37)30-22-11-7-6-9-18(22)4;28-27(29,30)41-20-8-2-1-7-19(20)32-25(40)31-17-11-9-16(10-12-17)21-34-35-22-18(6-5-15-36(21)22)23(37)33-26(24(38)39)13-3-4-14-26;2*1-16(2)23(18(4)34)30-26(35)21-9-7-15-33-24(31-32-25(21)33)19-11-13-20(14-12-19)28-27(36)29-22-10-6-5-8-17(22)3;1-3-19(15(2)36)31-24(37)18-7-6-14-35-22(33-34-23(18)35)16-10-12-17(13-11-16)30-25(38)32-20-8-4-5-9-21(20)39-26(27,28)29;1-14(15(2)35)29-23(36)18-6-5-13-34-21(32-33-22(18)34)16-9-11-17(12-10-16)30-24(37)31-19-7-3-4-8-20(19)38-25(26,27)28;1-7-34-23(32)19(15(2)3)27-22(31)18-9-8-14-30-20(28-29-21(18)30)16-10-12-17(13-11-16)26-24(33)35-25(4,5)6;25-24(26,27)38-18-6-2-1-5-17(18)30-23(37)29-15-9-7-14(8-10-15)20-31-32-21-16(4-3-13-33(20)21)22(36)28-12-11-19(34)35;1-14(34)13-28-22(35)17-5-4-12-33-20(31-32-21(17)33)15-8-10-16(11-9-15)29-23(36)30-18-6-2-3-7-19(18)37-24(25,26)27;1-14(2)19(15(3)30)26-22(31)18-8-7-13-29-20(27-28-21(18)29)16-9-11-17(12-10-16)25-23(32)33-24(4,5)6;1-4-28-20(27)16(12(2)3)22-19(26)15-6-5-11-25-17(23-24-18(15)25)13-7-9-14(21)10-8-13;/h2-17,25,41H,1,18H2,(H,36,42)(H2,35,37,43);2*4-14,16,22H,15H2,1-3H3,(H,33,39)(H2,32,34,40);6-17,23H,5H2,1-4H3,(H,31,35)(H2,29,30,37);1-2,5-12,15H,3-4,13-14H2,(H,33,37)(H,38,39)(H2,31,32,40);2*5-16,23H,1-4H3,(H,30,35)(H2,28,29,36);4-14,19,36H,2-3H2,1H3,(H,31,37)(H2,30,32,38);3-14,35H,2H2,1H3,(H,29,36)(H2,30,31,37);8-15,19H,7H2,1-6H3,(H,26,33)(H,27,31);1-10,13H,11-12H2,(H,28,36)(H,34,35)(H2,29,30,37);2-12H,13H2,1H3,(H,28,35)(H2,29,30,36);7-14,19H,1-6H3,(H,25,32)(H,26,31);5-12,16H,4,21H2,1-3H3,(H,22,26);1H4/t25-;2*22-;23-;;2*23-;19-;14-;19-;;;19-;16-;/m0100.00010..00./s1
InChIKeyKAAASVKHPYGGPI-SPTTYSCBSA-N
MW7230.33 g/mol
LogP66.94
Rot. Bonds105

About tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid

tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid (PubChem CID 159073939) has the molecular formula C365H357F24N81O56 and a molecular weight of 7230.33 g/mol. Its IUPAC name is tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Nametert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid
PubChem CID159073939
Molecular FormulaC365H357F24N81O56
Molecular Weight7230.33 g/mol
Exact Mass7225.72
IUPAC Nametert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESC.C=C(O)[C@@H](C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](CC)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](Cc1ccccc1)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)CNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.CC(=O)[C@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(N)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.O=C(Nc1ccc(-c2nnc3c(C(=O)NC4(C(=O)O)CCCC4)cccn23)cc1)Nc1ccccc1OC(F)(F)F.O=C(O)CCNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12
InChIInChI=1S/C31H25F3N6O4.2C28H27F3N6O4.C28H30N6O4.C27H23F3N6O5.2C27H28N6O3.C26H23F3N6O4.C25H21F3N6O4.C25H31N5O5.C24H19F3N6O5.C24H19F3N6O4.C24H29N5O4.C20H23N5O3.CH4/c1-19(41)25(18-20-8-3-2-4-9-20)36-29(42)23-10-7-17-40-27(38-39-28(23)40)21-13-15-22(16-14-21)35-30(43)37-24-11-5-6-12-26(24)44-31(32,33)34;2*1-16(2)15-22(17(3)38)33-26(39)20-7-6-14-37-24(35-36-25(20)37)18-10-12-19(13-11-18)32-27(40)34-21-8-4-5-9-23(21)41-28(29,30)31;1-5-38-27(36)23(17(2)3)31-26(35)21-10-8-16-34-24(32-33-25(21)34)19-12-14-20(15-13-19)29-28(37)30-22-11-7-6-9-18(22)4;28-27(29,30)41-20-8-2-1-7-19(20)32-25(40)31-17-11-9-16(10-12-17)21-34-35-22-18(6-5-15-36(21)22)23(37)33-26(24(38)39)13-3-4-14-26;2*1-16(2)23(18(4)34)30-26(35)21-9-7-15-33-24(31-32-25(21)33)19-11-13-20(14-12-19)28-27(36)29-22-10-6-5-8-17(22)3;1-3-19(15(2)36)31-24(37)18-7-6-14-35-22(33-34-23(18)35)16-10-12-17(13-11-16)30-25(38)32-20-8-4-5-9-21(20)39-26(27,28)29;1-14(15(2)35)29-23(36)18-6-5-13-34-21(32-33-22(18)34)16-9-11-17(12-10-16)30-24(37)31-19-7-3-4-8-20(19)38-25(26,27)28;1-7-34-23(32)19(15(2)3)27-22(31)18-9-8-14-30-20(28-29-21(18)30)16-10-12-17(13-11-16)26-24(33)35-25(4,5)6;25-24(26,27)38-18-6-2-1-5-17(18)30-23(37)29-15-9-7-14(8-10-15)20-31-32-21-16(4-3-13-33(20)21)22(36)28-12-11-19(34)35;1-14(34)13-28-22(35)17-5-4-12-33-20(31-32-21(17)33)15-8-10-16(11-9-15)29-23(36)30-18-6-2-3-7-19(18)37-24(25,26)27;1-14(2)19(15(3)30)26-22(31)18-8-7-13-29-20(27-28-21(18)29)16-9-11-17(12-10-16)25-23(32)33-24(4,5)6;1-4-28-20(27)16(12(2)3)22-19(26)15-6-5-11-25-17(23-24-18(15)25)13-7-9-14(21)10-8-13;/h2-17,25,41H,1,18H2,(H,36,42)(H2,35,37,43);2*4-14,16,22H,15H2,1-3H3,(H,33,39)(H2,32,34,40);6-17,23H,5H2,1-4H3,(H,31,35)(H2,29,30,37);1-2,5-12,15H,3-4,13-14H2,(H,33,37)(H,38,39)(H2,31,32,40);2*5-16,23H,1-4H3,(H,30,35)(H2,28,29,36);4-14,19,36H,2-3H2,1H3,(H,31,37)(H2,30,32,38);3-14,35H,2H2,1H3,(H,29,36)(H2,30,31,37);8-15,19H,7H2,1-6H3,(H,26,33)(H,27,31);1-10,13H,11-12H2,(H,28,36)(H,34,35)(H2,29,30,37);2-12H,13H2,1H3,(H,28,35)(H2,29,30,36);7-14,19H,1-6H3,(H,25,32)(H,26,31);5-12,16H,4,21H2,1-3H3,(H,22,26);1H4/t25-;2*22-;23-;;2*23-;19-;14-;19-;;;19-;16-;/m0100.00010..00./s1
InChIKeyKAAASVKHPYGGPI-SPTTYSCBSA-N
XLogP66.94
TPSA1775.62 Ų
H-Bond Donors44
H-Bond Acceptors97
Rotatable Bonds105
Heavy Atoms526
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007230.33
LogP ≤ 566.94
H-Bond Donors ≤ 544
H-Bond Acceptors ≤ 1097

Analyze tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid?
The IUPAC name of tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid (CID 159073939) is tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid.
What is the SMILES notation for tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid?
The canonical SMILES for tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid is C.C=C(O)[C@@H](C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](CC)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.C=C(O)[C@H](Cc1ccccc1)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)CNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.CC(=O)[C@H](CC(C)C)NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(N)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4C)cc3)nnc12)C(C)C.CCOC(=O)[C@@H](NC(=O)c1cccn2c(-c3ccc(NC(=O)OC(C)(C)C)cc3)nnc12)C(C)C.O=C(Nc1ccc(-c2nnc3c(C(=O)NC4(C(=O)O)CCCC4)cccn23)cc1)Nc1ccccc1OC(F)(F)F.O=C(O)CCNC(=O)c1cccn2c(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)nnc12.
What is the InChIKey of tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid?
The InChIKey is KAAASVKHPYGGPI-SPTTYSCBSA-N. The full InChI is InChI=1S/C31H25F3N6O4.2C28H27F3N6O4.C28H30N6O4.C27H23F3N6O5.2C27H28N6O3.C26H23F3N6O4.C25H21F3N6O4.C25H31N5O5.C24H19F3N6O5.C24H19F3N6O4.C24H29N5O4.C20H23N5O3.CH4/c1-19(41)25(18-20-8-3-2-4-9-20)36-29(42)23-10-7-17-40-27(38-39-28(23)40)21-13-15-22(16-14-21)35-30(43)37-24-11-5-6-12-26(24)44-31(32,33)34;2*1-16(2)15-22(17(3)38)33-26(39)20-7-6-14-37-24(35-36-25(20)37)18-10-12-19(13-11-18)32-27(40)34-21-8-4-5-9-23(21)41-28(29,30)31;1-5-38-27(36)23(17(2)3)31-26(35)21-10-8-16-34-24(32-33-25(21)34)19-12-14-20(15-13-19)29-28(37)30-22-11-7-6-9-18(22)4;28-27(29,30)41-20-8-2-1-7-19(20)32-25(40)31-17-11-9-16(10-12-17)21-34-35-22-18(6-5-15-36(21)22)23(37)33-26(24(38)39)13-3-4-14-26;2*1-16(2)23(18(4)34)30-26(35)21-9-7-15-33-24(31-32-25(21)33)19-11-13-20(14-12-19)28-27(36)29-22-10-6-5-8-17(22)3;1-3-19(15(2)36)31-24(37)18-7-6-14-35-22(33-34-23(18)35)16-10-12-17(13-11-16)30-25(38)32-20-8-4-5-9-21(20)39-26(27,28)29;1-14(15(2)35)29-23(36)18-6-5-13-34-21(32-33-22(18)34)16-9-11-17(12-10-16)30-24(37)31-19-7-3-4-8-20(19)38-25(26,27)28;1-7-34-23(32)19(15(2)3)27-22(31)18-9-8-14-30-20(28-29-21(18)30)16-10-12-17(13-11-16)26-24(33)35-25(4,5)6;25-24(26,27)38-18-6-2-1-5-17(18)30-23(37)29-15-9-7-14(8-10-15)20-31-32-21-16(4-3-13-33(20)21)22(36)28-12-11-19(34)35;1-14(34)13-28-22(35)17-5-4-12-33-20(31-32-21(17)33)15-8-10-16(11-9-15)29-23(36)30-18-6-2-3-7-19(18)37-24(25,26)27;1-14(2)19(15(3)30)26-22(31)18-8-7-13-29-20(27-28-21(18)29)16-9-11-17(12-10-16)25-23(32)33-24(4,5)6;1-4-28-20(27)16(12(2)3)22-19(26)15-6-5-11-25-17(23-24-18(15)25)13-7-9-14(21)10-8-13;/h2-17,25,41H,1,18H2,(H,36,42)(H2,35,37,43);2*4-14,16,22H,15H2,1-3H3,(H,33,39)(H2,32,34,40);6-17,23H,5H2,1-4H3,(H,31,35)(H2,29,30,37);1-2,5-12,15H,3-4,13-14H2,(H,33,37)(H,38,39)(H2,31,32,40);2*5-16,23H,1-4H3,(H,30,35)(H2,28,29,36);4-14,19,36H,2-3H2,1H3,(H,31,37)(H2,30,32,38);3-14,35H,2H2,1H3,(H,29,36)(H2,30,31,37);8-15,19H,7H2,1-6H3,(H,26,33)(H,27,31);1-10,13H,11-12H2,(H,28,36)(H,34,35)(H2,29,30,37);2-12H,13H2,1H3,(H,28,35)(H2,29,30,36);7-14,19H,1-6H3,(H,25,32)(H,26,31);5-12,16H,4,21H2,1-3H3,(H,22,26);1H4/t25-;2*22-;23-;;2*23-;19-;14-;19-;;;19-;16-;/m0100.00010..00./s1.
What are the key properties of tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid?
tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid has a molecular weight of 7230.33 g/mol, XLogP of 66.94, 105 rotatable bonds, 44 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[8-[[(3S)-2-methyl-4-oxopentan-3-yl]carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]carbamate;ethyl (2S)-2-[[3-(4-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]-3-methylbutanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;ethyl (2S)-3-methyl-2-[[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]butanoate;N-[(2R)-3-hydroxybut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3S)-2-hydroxypent-1-en-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(2S)-3-hydroxy-1-phenylbut-3-en-2-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;methane;N-[(3S)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[(3S)-2-methyl-4-oxopentan-3-yl]-3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);N-(2-oxopropyl)-3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;1-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]cyclopentane-1-carboxylic acid;3-[[3-[4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]amino]propanoic acid is sourced from PubChem (CID 159073939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).