4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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

C164H169F12N35O16 — CID 167619142

IUPAC4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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@@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.C25H26N6O3.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(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;1-22(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);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;/m..10../s1
InChIKeyMEMVKSOPCXUVKK-OKJMWPNXSA-N
MW3114.36 g/mol
LogP30.42
Rot. Bonds44

About 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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

4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 167619142) has the molecular formula C164H169F12N35O16 and a molecular weight of 3114.36 g/mol. Its IUPAC name is 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 Name4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 CID167619142
Molecular FormulaC164H169F12N35O16
Molecular Weight3114.36 g/mol
Exact Mass3112.33
IUPAC Name4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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@@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.C25H26N6O3.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(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;1-22(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);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;/m..10../s1
InChIKeyMEMVKSOPCXUVKK-OKJMWPNXSA-N
XLogP30.42
TPSA543.27 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds44
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.36
LogP ≤ 530.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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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Related Compounds

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;5-methoxy-1-methyl-3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]imidazo[4,5-b]pyridin-2-one;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 157107377
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 158757201
4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 158875074
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-ethylpyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5S)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 159109203
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 159195480
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(3-methoxyprop-1-ynyl)phenyl]-2-methyl-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-(4-pentoxyphenyl)-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159405648
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);methane;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 159408598
3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
CID 159409798
N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide;N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 159447719
CID 159588003
CID 159588003

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 167619142) is 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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@@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 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 MEMVKSOPCXUVKK-OKJMWPNXSA-N. The full InChI is InChI=1S/C32H35F3N6O2.C29H32F3N7O2.2C28H26F3N5O3.C25H26N6O3.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(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;1-22(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);3-9,15-16H,10-14H2,1-2H3,(H,27,28,29);6-12H,1-5H3,(H,23,29)(H,25,26,27)/t;;2*18-;;/m..10../s1.
What are the key properties of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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?
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 3114.36 g/mol, XLogP of 30.42, 44 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;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 167619142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).