1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one

C317H322F23N67O31S2 — CID 167581615

IUPAC1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(NC4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)C(=O)N5CCO)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)N(C)C5=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)CCN(C(C)=O)C5)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2C#N)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3n2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CC(C)(C)CC5)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CCC(C)(C)C5)n(C)c3c2C)ccn1.COCCN1C(=O)C(C)(C)c2c1cc(Nc1nc3ccc(Oc4ccnc(CC(C)=O)c4)cc3n1C)cc2C(F)(F)F.Cn1c(Nc2cc(C(C)(C)C)on2)nc2ccc(Oc3ccnc(CC(=O)C4CC4(F)F)c3)cc21
InChIInChI=1S/C30H30F3N5O4.C29H28F3N5O4.2C28H26F3N5O3.C26H27N7O2.2C26H29N5O2S.3C25H25F3N6O2.C25H25F2N5O3.C24H27N7O2/c1-17(39)12-18-13-21(8-9-34-18)42-20-6-7-23-24(16-20)37(4)28(36-23)35-19-14-22(30(31,32)33)26-25(15-19)38(10-11-41-5)27(40)29(26,2)3;1-16(39)11-17-12-20(7-8-33-17)41-19-5-6-22-23(15-19)36(4)27(35-22)34-18-13-21(29(30,31)32)25-24(14-18)37(9-10-38)26(40)28(25,2)3;1-15(37)10-16-11-19(8-9-32-16)39-18-6-7-22-23(14-18)35(4)26(34-22)33-17-12-20-24(21(13-17)28(29,30)31)27(2,3)36(5)25(20)38;1-16(37)10-19-12-22(6-8-32-19)39-21-4-5-25-26(14-21)35(3)27(34-25)33-20-11-18-15-36(17(2)38)9-7-23(18)24(13-20)28(29,30)31;1-16(34)12-17-13-18(8-10-28-17)35-21-7-6-20-24(19(21)15-27)32(4)25(29-20)30-23-14-22-26(2,3)9-5-11-33(22)31-23;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-20-23(16(21)2)31(5)24(28-20)30-25-29-19-8-10-26(3,4)14-22(19)34-25;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-19-23(16(21)2)31(5)24(28-19)30-25-29-20-14-26(3,4)10-8-22(20)34-25;3*1-14(35)10-17-11-19(8-9-29-17)36-18-5-6-20-21(12-18)33(3)24(32-20)31-16-4-7-22-30-15(2)23(25(26,27)28)34(22)13-16;1-24(2,3)21-12-22(31-35-21)30-23-29-18-6-5-15(11-19(18)32(23)4)34-16-7-8-28-14(9-16)10-20(33)17-13-25(17,26)27;1-15(32)12-16-13-17(8-10-25-16)33-21-7-6-18-22(28-21)30(4)23(26-18)27-20-14-19-24(2,3)9-5-11-31(19)29-20/h6-9,13-16H,10-12H2,1-5H3,(H,35,36);5-8,12-15,38H,9-11H2,1-4H3,(H,34,35);6-9,11-14H,10H2,1-5H3,(H,33,34);4-6,8,11-14H,7,9-10,15H2,1-3H3,(H,33,34);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,29,30,31);2*6-7,9,11,13H,8,10,12,14H2,1-5H3,(H,28,29,30);3*5-6,8-9,11-12,16H,4,7,10,13H2,1-3H3,(H,31,32);5-9,11-12,17H,10,13H2,1-4H3,(H,29,30,31);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,26,27,29)/t;;;;;;;2*16-;;;/m.......10.../s1
InChIKeyHGCWLVLPOCSKNG-ZAPLHFBBSA-N
MW6067.59 g/mol
LogP63.72
Rot. Bonds78

About 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one

1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one (PubChem CID 167581615) has the molecular formula C317H322F23N67O31S2 and a molecular weight of 6067.59 g/mol. Its IUPAC name is 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one.

Molecular Properties

Compound Name1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one
PubChem CID167581615
Molecular FormulaC317H322F23N67O31S2
Molecular Weight6067.59 g/mol
Exact Mass6063.48
IUPAC Name1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(NC4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)C(=O)N5CCO)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)N(C)C5=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)CCN(C(C)=O)C5)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2C#N)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3n2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CC(C)(C)CC5)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CCC(C)(C)C5)n(C)c3c2C)ccn1.COCCN1C(=O)C(C)(C)c2c1cc(Nc1nc3ccc(Oc4ccnc(CC(C)=O)c4)cc3n1C)cc2C(F)(F)F.Cn1c(Nc2cc(C(C)(C)C)on2)nc2ccc(Oc3ccnc(CC(=O)C4CC4(F)F)c3)cc21
InChIInChI=1S/C30H30F3N5O4.C29H28F3N5O4.2C28H26F3N5O3.C26H27N7O2.2C26H29N5O2S.3C25H25F3N6O2.C25H25F2N5O3.C24H27N7O2/c1-17(39)12-18-13-21(8-9-34-18)42-20-6-7-23-24(16-20)37(4)28(36-23)35-19-14-22(30(31,32)33)26-25(15-19)38(10-11-41-5)27(40)29(26,2)3;1-16(39)11-17-12-20(7-8-33-17)41-19-5-6-22-23(15-19)36(4)27(35-22)34-18-13-21(29(30,31)32)25-24(14-18)37(9-10-38)26(40)28(25,2)3;1-15(37)10-16-11-19(8-9-32-16)39-18-6-7-22-23(14-18)35(4)26(34-22)33-17-12-20-24(21(13-17)28(29,30)31)27(2,3)36(5)25(20)38;1-16(37)10-19-12-22(6-8-32-19)39-21-4-5-25-26(14-21)35(3)27(34-25)33-20-11-18-15-36(17(2)38)9-7-23(18)24(13-20)28(29,30)31;1-16(34)12-17-13-18(8-10-28-17)35-21-7-6-20-24(19(21)15-27)32(4)25(29-20)30-23-14-22-26(2,3)9-5-11-33(22)31-23;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-20-23(16(21)2)31(5)24(28-20)30-25-29-19-8-10-26(3,4)14-22(19)34-25;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-19-23(16(21)2)31(5)24(28-19)30-25-29-20-14-26(3,4)10-8-22(20)34-25;3*1-14(35)10-17-11-19(8-9-29-17)36-18-5-6-20-21(12-18)33(3)24(32-20)31-16-4-7-22-30-15(2)23(25(26,27)28)34(22)13-16;1-24(2,3)21-12-22(31-35-21)30-23-29-18-6-5-15(11-19(18)32(23)4)34-16-7-8-28-14(9-16)10-20(33)17-13-25(17,26)27;1-15(32)12-16-13-17(8-10-25-16)33-21-7-6-18-22(28-21)30(4)23(26-18)27-20-14-19-24(2,3)9-5-11-31(19)29-20/h6-9,13-16H,10-12H2,1-5H3,(H,35,36);5-8,12-15,38H,9-11H2,1-4H3,(H,34,35);6-9,11-14H,10H2,1-5H3,(H,33,34);4-6,8,11-14H,7,9-10,15H2,1-3H3,(H,33,34);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,29,30,31);2*6-7,9,11,13H,8,10,12,14H2,1-5H3,(H,28,29,30);3*5-6,8-9,11-12,16H,4,7,10,13H2,1-3H3,(H,31,32);5-9,11-12,17H,10,13H2,1-4H3,(H,29,30,31);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,26,27,29)/t;;;;;;;2*16-;;;/m.......10.../s1
InChIKeyHGCWLVLPOCSKNG-ZAPLHFBBSA-N
XLogP63.72
TPSA1116.77 Ų
H-Bond Donors13
H-Bond Acceptors96
Rotatable Bonds78
Heavy Atoms440
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006067.59
LogP ≤ 563.72
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1096

Analyze 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one?
The IUPAC name of 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one (CID 167581615) is 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one.
What is the SMILES notation for 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one?
The canonical SMILES for 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one is CC(=O)Cc1cc(Oc2ccc3nc(NC4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(N[C@H]4CCc5nc(C)c(C(F)(F)F)n5C4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)C(=O)N5CCO)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)C(C)(C)N(C)C5=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5c(c(C(F)(F)F)c4)CCN(C(C)=O)C5)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2C#N)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3n2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CC(C)(C)CC5)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4nc5c(s4)CCC(C)(C)C5)n(C)c3c2C)ccn1.COCCN1C(=O)C(C)(C)c2c1cc(Nc1nc3ccc(Oc4ccnc(CC(C)=O)c4)cc3n1C)cc2C(F)(F)F.Cn1c(Nc2cc(C(C)(C)C)on2)nc2ccc(Oc3ccnc(CC(=O)C4CC4(F)F)c3)cc21.
What is the InChIKey of 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one?
The InChIKey is HGCWLVLPOCSKNG-ZAPLHFBBSA-N. The full InChI is InChI=1S/C30H30F3N5O4.C29H28F3N5O4.2C28H26F3N5O3.C26H27N7O2.2C26H29N5O2S.3C25H25F3N6O2.C25H25F2N5O3.C24H27N7O2/c1-17(39)12-18-13-21(8-9-34-18)42-20-6-7-23-24(16-20)37(4)28(36-23)35-19-14-22(30(31,32)33)26-25(15-19)38(10-11-41-5)27(40)29(26,2)3;1-16(39)11-17-12-20(7-8-33-17)41-19-5-6-22-23(15-19)36(4)27(35-22)34-18-13-21(29(30,31)32)25-24(14-18)37(9-10-38)26(40)28(25,2)3;1-15(37)10-16-11-19(8-9-32-16)39-18-6-7-22-23(14-18)35(4)26(34-22)33-17-12-20-24(21(13-17)28(29,30)31)27(2,3)36(5)25(20)38;1-16(37)10-19-12-22(6-8-32-19)39-21-4-5-25-26(14-21)35(3)27(34-25)33-20-11-18-15-36(17(2)38)9-7-23(18)24(13-20)28(29,30)31;1-16(34)12-17-13-18(8-10-28-17)35-21-7-6-20-24(19(21)15-27)32(4)25(29-20)30-23-14-22-26(2,3)9-5-11-33(22)31-23;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-20-23(16(21)2)31(5)24(28-20)30-25-29-19-8-10-26(3,4)14-22(19)34-25;1-15(32)12-17-13-18(9-11-27-17)33-21-7-6-19-23(16(21)2)31(5)24(28-19)30-25-29-20-14-26(3,4)10-8-22(20)34-25;3*1-14(35)10-17-11-19(8-9-29-17)36-18-5-6-20-21(12-18)33(3)24(32-20)31-16-4-7-22-30-15(2)23(25(26,27)28)34(22)13-16;1-24(2,3)21-12-22(31-35-21)30-23-29-18-6-5-15(11-19(18)32(23)4)34-16-7-8-28-14(9-16)10-20(33)17-13-25(17,26)27;1-15(32)12-16-13-17(8-10-25-16)33-21-7-6-18-22(28-21)30(4)23(26-18)27-20-14-19-24(2,3)9-5-11-31(19)29-20/h6-9,13-16H,10-12H2,1-5H3,(H,35,36);5-8,12-15,38H,9-11H2,1-4H3,(H,34,35);6-9,11-14H,10H2,1-5H3,(H,33,34);4-6,8,11-14H,7,9-10,15H2,1-3H3,(H,33,34);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,29,30,31);2*6-7,9,11,13H,8,10,12,14H2,1-5H3,(H,28,29,30);3*5-6,8-9,11-12,16H,4,7,10,13H2,1-3H3,(H,31,32);5-9,11-12,17H,10,13H2,1-4H3,(H,29,30,31);6-8,10,13-14H,5,9,11-12H2,1-4H3,(H,26,27,29)/t;;;;;;;2*16-;;;/m.......10.../s1.
What are the key properties of 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one?
1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one has a molecular weight of 6067.59 g/mol, XLogP of 63.72, 78 rotatable bonds, 13 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[2-acetyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(2,2-difluorocyclopropyl)ethanone;1-[4-[2-[(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]propan-2-one;2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazole-4-carbonitrile;1-(2-hydroxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-(2-methoxyethyl)-3,3-dimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)indol-2-one;1-[4-[3-methyl-2-[[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6R)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[3-methyl-2-[[(6S)-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;2,3,3-trimethyl-6-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-4-(trifluoromethyl)isoindol-1-one is sourced from PubChem (CID 167581615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).