6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid

C150H176F9N35O11 — CID 165099018

IUPAC6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid
SMILESCCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(N)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCN(C)CC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCOCC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)CCN(C)C)c5)cc4n3C)cc2C(C)(F)F)CC1.Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)O)c4)nc3n2C)c(F)c1
InChIInChI=1S/C35H44F2N8O2.C34H41F2N7O3.C33H42F2N8O2.C28H33F2N7O.C20H16FN5O3/c1-5-44-16-18-45(19-17-44)23-25-6-7-26(20-29(25)35(2,36)37)39-34-40-30-9-8-27(21-31(30)43(34)4)47-28-10-13-38-32(22-28)41-33(46)24-11-14-42(3)15-12-24;1-4-42-13-15-43(16-14-42)22-24-5-6-25(19-28(24)34(2,35)36)38-33-39-29-8-7-26(20-30(29)41(33)3)46-27-9-12-37-31(21-27)40-32(44)23-10-17-45-18-11-23;1-6-42-15-17-43(18-16-42)22-23-7-8-24(19-27(23)33(2,34)35)37-32-38-28-10-9-25(20-29(28)41(32)5)45-26-11-13-36-30(21-26)39-31(44)12-14-40(3)4;1-4-36-11-13-37(14-12-36)18-19-5-6-20(15-23(19)28(2,29)30)33-27-34-24-8-7-21(16-25(24)35(27)3)38-22-9-10-32-26(31)17-22;1-11-3-4-14(13(21)9-11)23-20-24-15-5-6-17(25-18(15)26(20)2)29-12-7-8-22-16(10-12)19(27)28/h6-10,13,20-22,24H,5,11-12,14-19,23H2,1-4H3,(H,39,40)(H,38,41,46);5-9,12,19-21,23H,4,10-11,13-18,22H2,1-3H3,(H,38,39)(H,37,40,44);7-11,13,19-21H,6,12,14-18,22H2,1-5H3,(H,37,38)(H,36,39,44);5-10,15-17H,4,11-14,18H2,1-3H3,(H2,31,32)(H,33,34);3-10H,1-2H3,(H,23,24)(H,27,28)
InChIKeyXZVWILVIDHFLPI-UHFFFAOYSA-N
MW2816.27 g/mol
LogP27.18
Rot. Bonds45

About 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid

6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid (PubChem CID 165099018) has the molecular formula C150H176F9N35O11 and a molecular weight of 2816.27 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid
PubChem CID165099018
Molecular FormulaC150H176F9N35O11
Molecular Weight2816.27 g/mol
Exact Mass2814.41
IUPAC Name6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid
SMILESCCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(N)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCN(C)CC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCOCC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)CCN(C)C)c5)cc4n3C)cc2C(C)(F)F)CC1.Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)O)c4)nc3n2C)c(F)c1
InChIInChI=1S/C35H44F2N8O2.C34H41F2N7O3.C33H42F2N8O2.C28H33F2N7O.C20H16FN5O3/c1-5-44-16-18-45(19-17-44)23-25-6-7-26(20-29(25)35(2,36)37)39-34-40-30-9-8-27(21-31(30)43(34)4)47-28-10-13-38-32(22-28)41-33(46)24-11-14-42(3)15-12-24;1-4-42-13-15-43(16-14-42)22-24-5-6-25(19-28(24)34(2,35)36)38-33-39-29-8-7-26(20-30(29)41(33)3)46-27-9-12-37-31(21-27)40-32(44)23-10-17-45-18-11-23;1-6-42-15-17-43(18-16-42)22-23-7-8-24(19-27(23)33(2,34)35)37-32-38-28-10-9-25(20-29(28)41(32)5)45-26-11-13-36-30(21-26)39-31(44)12-14-40(3)4;1-4-36-11-13-37(14-12-36)18-19-5-6-20(15-23(19)28(2,29)30)33-27-34-24-8-7-21(16-25(24)35(27)3)38-22-9-10-32-26(31)17-22;1-11-3-4-14(13(21)9-11)23-20-24-15-5-6-17(25-18(15)26(20)2)29-12-7-8-22-16(10-12)19(27)28/h6-10,13,20-22,24H,5,11-12,14-19,23H2,1-4H3,(H,39,40)(H,38,41,46);5-9,12,19-21,23H,4,10-11,13-18,22H2,1-3H3,(H,38,39)(H,37,40,44);7-11,13,19-21H,6,12,14-18,22H2,1-5H3,(H,37,38)(H,36,39,44);5-10,15-17H,4,11-14,18H2,1-3H3,(H2,31,32)(H,33,34);3-10H,1-2H3,(H,23,24)(H,27,28)
InChIKeyXZVWILVIDHFLPI-UHFFFAOYSA-N
XLogP27.18
TPSA464.99 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds45
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.27
LogP ≤ 527.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid 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
6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158977297
[(3aR,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3S,4R)-3-amino-4-methoxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-7-(2,2,2-trifluoroethoxy)benzimidazol-5-yl]methanone
CID 159105401
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-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-[5-(difluoromethoxy)-2-pyridinyl]-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]-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 159689310
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159911479
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[2,5-dimethyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 159978681
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;5-amino-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazole-4-carboxamide;N-[4-(6-aminopurin-9-yl)phenyl]-2-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide;methyl N-[6-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]-3H-indol-2-yl]carbamate;N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[(5-oxo-8H-quinazolin-4-yl)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-(4-pyridin-4-yloxyphenyl)-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 160464199
1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 160822321

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid (CID 165099018) is 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid is CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(N)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCN(C)CC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)C6CCOCC6)c5)cc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(=O)CCN(C)C)c5)cc4n3C)cc2C(C)(F)F)CC1.Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)O)c4)nc3n2C)c(F)c1.
What is the InChIKey of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid?
The InChIKey is XZVWILVIDHFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44F2N8O2.C34H41F2N7O3.C33H42F2N8O2.C28H33F2N7O.C20H16FN5O3/c1-5-44-16-18-45(19-17-44)23-25-6-7-26(20-29(25)35(2,36)37)39-34-40-30-9-8-27(21-31(30)43(34)4)47-28-10-13-38-32(22-28)41-33(46)24-11-14-42(3)15-12-24;1-4-42-13-15-43(16-14-42)22-24-5-6-25(19-28(24)34(2,35)36)38-33-39-29-8-7-26(20-30(29)41(33)3)46-27-9-12-37-31(21-27)40-32(44)23-10-17-45-18-11-23;1-6-42-15-17-43(18-16-42)22-23-7-8-24(19-27(23)33(2,34)35)37-32-38-28-10-9-25(20-29(28)41(32)5)45-26-11-13-36-30(21-26)39-31(44)12-14-40(3)4;1-4-36-11-13-37(14-12-36)18-19-5-6-20(15-23(19)28(2,29)30)33-27-34-24-8-7-21(16-25(24)35(27)3)38-22-9-10-32-26(31)17-22;1-11-3-4-14(13(21)9-11)23-20-24-15-5-6-17(25-18(15)26(20)2)29-12-7-8-22-16(10-12)19(27)28/h6-10,13,20-22,24H,5,11-12,14-19,23H2,1-4H3,(H,39,40)(H,38,41,46);5-9,12,19-21,23H,4,10-11,13-18,22H2,1-3H3,(H,38,39)(H,37,40,44);7-11,13,19-21H,6,12,14-18,22H2,1-5H3,(H,37,38)(H,36,39,44);5-10,15-17H,4,11-14,18H2,1-3H3,(H2,31,32)(H,33,34);3-10H,1-2H3,(H,23,24)(H,27,28).
What are the key properties of 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid?
6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid has a molecular weight of 2816.27 g/mol, XLogP of 27.18, 45 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-pyridinyl)oxy]-N-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-methylbenzimidazol-2-amine;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(dimethylamino)propanamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxane-4-carboxamide;4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 165099018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).