1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

C321H355F12N71O32 — CID 167661945

IUPAC1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cccc(N5CCOCC5)n4)n(C)c3c2)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(C(=O)NC)c5)cc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(CC(=O)C6CC6)c5)cc4n3C)cc2C(F)(F)F)CC1.CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)on4)n(C)c3c2)ccn1
InChIInChI=1S/C32H35F3N6O2.C29H32F3N7O2.2C28H26F3N5O3.4C27H32N6O3.C25H26N6O3.C25H30N6O2.C24H28N6O2.C22H24N6O3/c1-3-40-12-14-41(15-13-40)20-22-6-7-23(17-27(22)32(33,34)35)37-31-38-28-9-8-25(19-29(28)39(31)2)43-26-10-11-36-24(16-26)18-30(42)21-4-5-21;1-4-38-11-13-39(14-12-38)18-19-5-6-20(15-23(19)29(30,31)32)35-28-36-24-8-7-21(17-26(24)37(28)3)41-22-9-10-34-25(16-22)27(40)33-2;2*1-16(37)8-20-13-23(6-7-32-20)39-22-4-5-24-25(14-22)36(3)27(34-24)33-21-10-17(9-19(12-21)28(29,30)31)18-11-26(38)35(2)15-18;1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)33(31-25)19-9-11-35-16-19;3*1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)31-33(25)19-9-11-35-16-19;1-17(32)14-18-15-20(8-9-26-18)34-19-6-7-21-22(16-19)30(2)25(27-21)29-23-4-3-5-24(28-23)31-10-12-33-13-11-31;1-15(32)12-17-13-18(10-11-26-17)33-20-9-8-19-23(16(20)2)30(6)24(27-19)28-22-14-21(25(3,4)5)29-31(22)7;1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6;1-22(2,3)18-12-19(27-31-18)26-21-25-15-7-6-13(11-17(15)28(21)5)30-14-8-9-24-16(10-14)20(29)23-4/h6-11,16-17,19,21H,3-5,12-15,18,20H2,1-2H3,(H,37,38);5-10,15-17H,4,11-14,18H2,1-3H3,(H,33,40)(H,35,36);2*4-7,9-10,12-14,18H,8,11,15H2,1-3H3,(H,33,34);6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30,31);3*6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);8-11,13-14H,12H2,1-7H3,(H,27,28);7-10,12-14H,11H2,1-6H3,(H,26,27);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;2*19-;;;;;/m..10.10...../s1
InChIKeySBRPVIQKESWGLG-AEEFMMTASA-N
MW5947.81 g/mol
LogP60.43
Rot. Bonds84

About 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167661945) has the molecular formula C321H355F12N71O32 and a molecular weight of 5947.81 g/mol. Its IUPAC name is 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID167661945
Molecular FormulaC321H355F12N71O32
Molecular Weight5947.81 g/mol
Exact Mass5943.81
IUPAC Name1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cccc(N5CCOCC5)n4)n(C)c3c2)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(C(=O)NC)c5)cc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(CC(=O)C6CC6)c5)cc4n3C)cc2C(F)(F)F)CC1.CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)on4)n(C)c3c2)ccn1
InChIInChI=1S/C32H35F3N6O2.C29H32F3N7O2.2C28H26F3N5O3.4C27H32N6O3.C25H26N6O3.C25H30N6O2.C24H28N6O2.C22H24N6O3/c1-3-40-12-14-41(15-13-40)20-22-6-7-23(17-27(22)32(33,34)35)37-31-38-28-9-8-25(19-29(28)39(31)2)43-26-10-11-36-24(16-26)18-30(42)21-4-5-21;1-4-38-11-13-39(14-12-38)18-19-5-6-20(15-23(19)29(30,31)32)35-28-36-24-8-7-21(17-26(24)37(28)3)41-22-9-10-34-25(16-22)27(40)33-2;2*1-16(37)8-20-13-23(6-7-32-20)39-22-4-5-24-25(14-22)36(3)27(34-24)33-21-10-17(9-19(12-21)28(29,30)31)18-11-26(38)35(2)15-18;1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)33(31-25)19-9-11-35-16-19;3*1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)31-33(25)19-9-11-35-16-19;1-17(32)14-18-15-20(8-9-26-18)34-19-6-7-21-22(16-19)30(2)25(27-21)29-23-4-3-5-24(28-23)31-10-12-33-13-11-31;1-15(32)12-17-13-18(10-11-26-17)33-20-9-8-19-23(16(20)2)30(6)24(27-19)28-22-14-21(25(3,4)5)29-31(22)7;1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6;1-22(2,3)18-12-19(27-31-18)26-21-25-15-7-6-13(11-17(15)28(21)5)30-14-8-9-24-16(10-14)20(29)23-4/h6-11,16-17,19,21H,3-5,12-15,18,20H2,1-2H3,(H,37,38);5-10,15-17H,4,11-14,18H2,1-3H3,(H,33,40)(H,35,36);2*4-7,9-10,12-14,18H,8,11,15H2,1-3H3,(H,33,34);6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30,31);3*6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);8-11,13-14H,12H2,1-7H3,(H,27,28);7-10,12-14H,11H2,1-6H3,(H,26,27);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;2*19-;;;;;/m..10.10...../s1
InChIKeySBRPVIQKESWGLG-AEEFMMTASA-N
XLogP60.43
TPSA1101.35 Ų
H-Bond Donors14
H-Bond Acceptors99
Rotatable Bonds84
Heavy Atoms436
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005947.81
LogP ≤ 560.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1099

Analyze 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 167661945) is 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4[C@H]4CCOC4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc([C@H]5CC(=O)N(C)C5)cc(C(F)(F)F)c4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cccc(N5CCOCC5)n4)n(C)c3c2)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(C(=O)NC)c5)cc4n3C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(CC(=O)C6CC6)c5)cc4n3C)cc2C(F)(F)F)CC1.CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)on4)n(C)c3c2)ccn1.
What is the InChIKey of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is SBRPVIQKESWGLG-AEEFMMTASA-N. The full InChI is InChI=1S/C32H35F3N6O2.C29H32F3N7O2.2C28H26F3N5O3.4C27H32N6O3.C25H26N6O3.C25H30N6O2.C24H28N6O2.C22H24N6O3/c1-3-40-12-14-41(15-13-40)20-22-6-7-23(17-27(22)32(33,34)35)37-31-38-28-9-8-25(19-29(28)39(31)2)43-26-10-11-36-24(16-26)18-30(42)21-4-5-21;1-4-38-11-13-39(14-12-38)18-19-5-6-20(15-23(19)29(30,31)32)35-28-36-24-8-7-21(17-26(24)37(28)3)41-22-9-10-34-25(16-22)27(40)33-2;2*1-16(37)8-20-13-23(6-7-32-20)39-22-4-5-24-25(14-22)36(3)27(34-24)33-21-10-17(9-19(12-21)28(29,30)31)18-11-26(38)35(2)15-18;1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)33(31-25)19-9-11-35-16-19;3*1-17(34)12-18-13-21(8-10-28-18)36-20-6-7-22-23(14-20)32(5)26(29-22)30-25-15-24(27(2,3)4)31-33(25)19-9-11-35-16-19;1-17(32)14-18-15-20(8-9-26-18)34-19-6-7-21-22(16-19)30(2)25(27-21)29-23-4-3-5-24(28-23)31-10-12-33-13-11-31;1-15(32)12-17-13-18(10-11-26-17)33-20-9-8-19-23(16(20)2)30(6)24(27-19)28-22-14-21(25(3,4)5)29-31(22)7;1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6;1-22(2,3)18-12-19(27-31-18)26-21-25-15-7-6-13(11-17(15)28(21)5)30-14-8-9-24-16(10-14)20(29)23-4/h6-11,16-17,19,21H,3-5,12-15,18,20H2,1-2H3,(H,37,38);5-10,15-17H,4,11-14,18H2,1-3H3,(H,33,40)(H,35,36);2*4-7,9-10,12-14,18H,8,11,15H2,1-3H3,(H,33,34);6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30,31);3*6-8,10,13-15,19H,9,11-12,16H2,1-5H3,(H,29,30);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);8-11,13-14H,12H2,1-7H3,(H,27,28);7-10,12-14H,11H2,1-6H3,(H,26,27);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;2*19-;;;;;/m..10.10...../s1.
What are the key properties of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 5947.81 g/mol, XLogP of 60.43, 84 rotatable bonds, 14 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;1-[4-[2-[[3-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[3-tert-butyl-1-(oxolan-3-yl)pyrazol-5-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-cyclopropyl-2-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;(4S)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;(4R)-1-methyl-4-[3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one;1-[4-[3-methyl-2-[(6-morpholin-4-yl-2-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).