N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C364H352F33N69O25S12 — CID 165072415

IUPACN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3Cc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc4C3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.O=C(Nc1nc2ccc(-c3ccc4c(c3)N(C(=O)Nc3ccc(F)cc3F)CC4)nc2s1)C1CC1
InChIInChI=1S/C33H34F3N7O2S.2C33H33F3N6O2S.C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C25H19F2N5O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-2-41-11-13-42(14-12-41)19-20-15-24(33(34,35)36)18-25(16-20)37-32(45)43-10-9-21-3-6-23(17-28(21)43)26-7-8-27-30(38-26)46-31(39-27)40-29(44)22-4-5-22;1-2-40-11-13-41(14-12-40)19-20-15-24(17-25(16-20)33(34,35)36)31(44)42-10-9-21-3-6-23(18-28(21)42)26-7-8-27-30(37-26)45-32(38-27)39-29(43)22-4-5-22;1-2-40-9-11-41(12-10-40)17-20-13-24(16-26(14-20)33(34,35)36)31(44)42-18-23-6-5-22(15-25(23)19-42)27-7-8-28-30(37-27)45-32(38-28)39-29(43)21-3-4-21;1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;26-16-5-6-19(17(27)12-16)30-25(34)32-10-9-13-1-4-15(11-21(13)32)18-7-8-20-23(28-18)35-24(29-20)31-22(33)14-2-3-14;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,37,45)(H,39,40,44);3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,38,39,43);5-8,13-16,21H,2-4,9-12,17-19H2,1H3,(H,38,39,43);4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);1,4-8,11-12,14H,2-3,9-10H2,(H,30,34)(H,29,31,33);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31)
InChIKeySZISTIDBGYRDSC-UHFFFAOYSA-N
MW7105.02 g/mol
LogP74.48
Rot. Bonds82

About N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 165072415) has the molecular formula C364H352F33N69O25S12 and a molecular weight of 7105.02 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID165072415
Molecular FormulaC364H352F33N69O25S12
Molecular Weight7105.02 g/mol
Exact Mass7099.45
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3Cc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc4C3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.O=C(Nc1nc2ccc(-c3ccc4c(c3)N(C(=O)Nc3ccc(F)cc3F)CC4)nc2s1)C1CC1
InChIInChI=1S/C33H34F3N7O2S.2C33H33F3N6O2S.C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C25H19F2N5O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-2-41-11-13-42(14-12-41)19-20-15-24(33(34,35)36)18-25(16-20)37-32(45)43-10-9-21-3-6-23(17-28(21)43)26-7-8-27-30(38-26)46-31(39-27)40-29(44)22-4-5-22;1-2-40-11-13-41(14-12-40)19-20-15-24(17-25(16-20)33(34,35)36)31(44)42-10-9-21-3-6-23(18-28(21)42)26-7-8-27-30(37-26)45-32(38-27)39-29(43)22-4-5-22;1-2-40-9-11-41(12-10-40)17-20-13-24(16-26(14-20)33(34,35)36)31(44)42-18-23-6-5-22(15-25(23)19-42)27-7-8-28-30(37-27)45-32(38-28)39-29(43)21-3-4-21;1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;26-16-5-6-19(17(27)12-16)30-25(34)32-10-9-13-1-4-15(11-21(13)32)18-7-8-20-23(28-18)35-24(29-20)31-22(33)14-2-3-14;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,37,45)(H,39,40,44);3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,38,39,43);5-8,13-16,21H,2-4,9-12,17-19H2,1H3,(H,38,39,43);4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);1,4-8,11-12,14H,2-3,9-10H2,(H,30,34)(H,29,31,33);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31)
InChIKeySZISTIDBGYRDSC-UHFFFAOYSA-N
XLogP74.48
TPSA1083.22 Ų
H-Bond Donors24
H-Bond Acceptors77
Rotatable Bonds82
Heavy Atoms503
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007105.02
LogP ≤ 574.48
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1077

Analyze N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 165072415) is N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is CCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)N3Cc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc4C3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)N3CCc4ccc(-c5ccc6nc(NC(=O)C7CC7)sc6n5)cc43)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.O=C(Nc1nc2ccc(-c3ccc4c(c3)N(C(=O)Nc3ccc(F)cc3F)CC4)nc2s1)C1CC1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is SZISTIDBGYRDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N7O2S.2C33H33F3N6O2S.C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C25H19F2N5O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-2-41-11-13-42(14-12-41)19-20-15-24(33(34,35)36)18-25(16-20)37-32(45)43-10-9-21-3-6-23(17-28(21)43)26-7-8-27-30(38-26)46-31(39-27)40-29(44)22-4-5-22;1-2-40-11-13-41(14-12-40)19-20-15-24(17-25(16-20)33(34,35)36)31(44)42-10-9-21-3-6-23(18-28(21)42)26-7-8-27-30(37-26)45-32(38-27)39-29(43)22-4-5-22;1-2-40-9-11-41(12-10-40)17-20-13-24(16-26(14-20)33(34,35)36)31(44)42-18-23-6-5-22(15-25(23)19-42)27-7-8-28-30(37-27)45-32(38-28)39-29(43)21-3-4-21;1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;26-16-5-6-19(17(27)12-16)30-25(34)32-10-9-13-1-4-15(11-21(13)32)18-7-8-20-23(28-18)35-24(29-20)31-22(33)14-2-3-14;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,37,45)(H,39,40,44);3,6-8,15-18,22H,2,4-5,9-14,19H2,1H3,(H,38,39,43);5-8,13-16,21H,2-4,9-12,17-19H2,1H3,(H,38,39,43);4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);1,4-8,11-12,14H,2-3,9-10H2,(H,30,34)(H,29,31,33);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 7105.02 g/mol, XLogP of 74.48, 82 rotatable bonds, 24 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165072415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).