N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

C140H138F9N39O12 — CID 164998460

IUPACN-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C)cc2F)n3C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3n2)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)nn3c2)ccn1.CC(=O)Nc1cc(Oc2ncc3[nH]c(Nc4ccc(C)cc4F)nc3n2)ccn1.CCN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1
InChIInChI=1S/C29H32F3N7O2.C29H34F2N8O2.C22H20FN5O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-16-23(5-6-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-5-38-12-14-39(15-13-38)18-20-6-7-21(16-23(20)29(3,30)31)34-28-35-24-8-9-26(36-27(24)37(28)4)41-22-10-11-32-25(17-22)33-19(2)40;1-13-4-6-18(17(23)10-13)26-22-27-19-11-15(5-7-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-16(15(22)10-12)25-21-26-17-6-7-19(27-20(17)28(21)3)30-14-8-9-23-18(11-14)24-13(2)29;1-12-3-5-17(16(21)9-12)24-20-25-19-6-4-15(11-27(19)26-20)29-14-7-8-22-18(10-14)23-13(2)28;1-10-3-4-14(13(20)7-10)24-18-25-15-9-22-19(27-17(15)26-18)29-12-5-6-21-16(8-12)23-11(2)28/h5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,25,26)(H,23,24,29);3-11H,1-2H3,(H,24,26)(H,22,23,28);3-9H,1-2H3,(H,21,23,28)(H2,22,24,25,26,27)
InChIKeyHWRMPPBDFREPLB-UHFFFAOYSA-N
MW2729.89 g/mol
LogP27.70
Rot. Bonds37

About N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide

N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 164998460) has the molecular formula C140H138F9N39O12 and a molecular weight of 2729.89 g/mol. Its IUPAC name is N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
PubChem CID164998460
Molecular FormulaC140H138F9N39O12
Molecular Weight2729.89 g/mol
Exact Mass2728.12
IUPAC NameN-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C)cc2F)n3C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3n2)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)nn3c2)ccn1.CC(=O)Nc1cc(Oc2ncc3[nH]c(Nc4ccc(C)cc4F)nc3n2)ccn1.CCN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1
InChIInChI=1S/C29H32F3N7O2.C29H34F2N8O2.C22H20FN5O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-16-23(5-6-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-5-38-12-14-39(15-13-38)18-20-6-7-21(16-23(20)29(3,30)31)34-28-35-24-8-9-26(36-27(24)37(28)4)41-22-10-11-32-25(17-22)33-19(2)40;1-13-4-6-18(17(23)10-13)26-22-27-19-11-15(5-7-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-16(15(22)10-12)25-21-26-17-6-7-19(27-20(17)28(21)3)30-14-8-9-23-18(11-14)24-13(2)29;1-12-3-5-17(16(21)9-12)24-20-25-19-6-4-15(11-27(19)26-20)29-14-7-8-22-18(10-14)23-13(2)28;1-10-3-4-14(13(20)7-10)24-18-25-15-9-22-19(27-17(15)26-18)29-12-5-6-21-16(8-12)23-11(2)28/h5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,25,26)(H,23,24,29);3-11H,1-2H3,(H,24,26)(H,22,23,28);3-9H,1-2H3,(H,21,23,28)(H2,22,24,25,26,27)
InChIKeyHWRMPPBDFREPLB-UHFFFAOYSA-N
XLogP27.70
TPSA574.17 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002729.89
LogP ≤ 527.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[3-Amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea
CID 123666529
2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487
1-[4-[2-[3-(dimethylamino)azetidin-1-yl]-8-[[5-(trifluoromethyl)-1H-indazol-4-yl]oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-ethyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[[5-(trifluoromethyl)-1H-indazol-4-yl]oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157467130
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 158071324
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzotriazol-5-yl)oxyphenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,7-diamine
CID 158101638
(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(1-methylpyrazol-4-yl)phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 158129758
bis((2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(4,6-difluoro-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(6-methyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(4,5,6-trifluoro-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]butyl]amino]methyl]oxolane-3,4-diol
CID 158308871
4-N-(1,3-benzodioxol-5-yl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;2-(5,7-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-4-N-(4-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine
CID 158438987
3-ethyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;methane;2-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;3-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 158484096

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide (CID 164998460) is N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C)cc2F)n3C)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)n(C)c3n2)ccn1.CC(=O)Nc1cc(Oc2ccc3nc(Nc4ccc(C)cc4F)nn3c2)ccn1.CC(=O)Nc1cc(Oc2ncc3[nH]c(Nc4ccc(C)cc4F)nc3n2)ccn1.CCN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc(NC(C)=O)c5)ccc4n3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1.
What is the InChIKey of N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is HWRMPPBDFREPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2.C29H34F2N8O2.C22H20FN5O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-4-38-9-11-39(12-10-38)18-20-13-21(29(30,31)32)15-22(14-20)35-28-36-25-16-23(5-6-26(25)37(28)3)41-24-7-8-33-27(17-24)34-19(2)40;1-5-38-12-14-39(15-13-38)18-20-6-7-21(16-23(20)29(3,30)31)34-28-35-24-8-9-26(36-27(24)37(28)4)41-22-10-11-32-25(17-22)33-19(2)40;1-13-4-6-18(17(23)10-13)26-22-27-19-11-15(5-7-20(19)28(22)3)30-16-8-9-24-21(12-16)25-14(2)29;1-12-4-5-16(15(22)10-12)25-21-26-17-6-7-19(27-20(17)28(21)3)30-14-8-9-23-18(11-14)24-13(2)29;1-12-3-5-17(16(21)9-12)24-20-25-19-6-4-15(11-27(19)26-20)29-14-7-8-22-18(10-14)23-13(2)28;1-10-3-4-14(13(20)7-10)24-18-25-15-9-22-19(27-17(15)26-18)29-12-5-6-21-16(8-12)23-11(2)28/h5-8,13-17H,4,9-12,18H2,1-3H3,(H,35,36)(H,33,34,40);6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);4-12H,1-3H3,(H,26,27)(H,24,25,29);4-11H,1-3H3,(H,25,26)(H,23,24,29);3-11H,1-2H3,(H,24,26)(H,22,23,28);3-9H,1-2H3,(H,21,23,28)(H2,22,24,25,26,27).
What are the key properties of N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide?
N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 2729.89 g/mol, XLogP of 27.70, 37 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 164998460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).