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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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

C116H117F7N36O10 — CID 165069729

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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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(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(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4nc(Oc5ccnc(NC(C)=O)c5)ncc4[nH]3)cc2C(C)(F)F)CC1
InChIInChI=1S/C29H34F2N8O2.C27H31F2N9O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-5-38-12-14-39(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;1-4-37-9-11-38(12-10-37)16-18-5-6-19(13-21(18)27(3,28)29)33-25-34-22-15-31-26(36-24(22)35-25)40-20-7-8-30-23(14-20)32-17(2)39;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/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);5-8,13-15H,4,9-12,16H2,1-3H3,(H,30,32,39)(H2,31,33,34,35,36);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)
InChIKeySOFQSNOKMLIWRI-UHFFFAOYSA-N
MW2308.44 g/mol
LogP21.66
Rot. Bonds33

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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 165069729) has the molecular formula C116H117F7N36O10 and a molecular weight of 2308.44 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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 CID165069729
Molecular FormulaC116H117F7N36O10
Molecular Weight2308.44 g/mol
Exact Mass2306.96
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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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(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(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4nc(Oc5ccnc(NC(C)=O)c5)ncc4[nH]3)cc2C(C)(F)F)CC1
InChIInChI=1S/C29H34F2N8O2.C27H31F2N9O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-5-38-12-14-39(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;1-4-37-9-11-38(12-10-37)16-18-5-6-19(13-21(18)27(3,28)29)33-25-34-22-15-31-26(36-24(22)35-25)40-20-7-8-30-23(14-20)32-17(2)39;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/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);5-8,13-15H,4,9-12,16H2,1-3H3,(H,30,32,39)(H2,31,33,34,35,36);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)
InChIKeySOFQSNOKMLIWRI-UHFFFAOYSA-N
XLogP21.66
TPSA529.74 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002308.44
LogP ≤ 521.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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

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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
6-(3-fluoropyrrolidin-1-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-8-[[6-[[5-[2-(trifluoromethyl)phenyl]-1-[[6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidin-1-ium-3-carbonyl]amino]-2-pyridinyl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124017564
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
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8-methyl-3-[[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178062
(8R)-8-ethyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[5-fluoro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178584
N-[4-[2-[4-[[4-[2-[2-(2-acetamidopyridin-4-yl)oxy-8-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]purin-7-yl]ethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridin-2-yl]acetamide
CID 153583794
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
1-[4-(6-Tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157751526

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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 165069729) 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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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(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(Cc2ccc(Nc3nc4ccc(Oc5ccnc(NC(C)=O)c5)nc4n3C)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(Nc3nc4nc(Oc5ccnc(NC(C)=O)c5)ncc4[nH]3)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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 SOFQSNOKMLIWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N8O2.C27H31F2N9O2.C21H19FN6O2.C20H17FN6O2.C19H16FN7O2/c1-5-38-12-14-39(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;1-4-37-9-11-38(12-10-37)16-18-5-6-19(13-21(18)27(3,28)29)33-25-34-22-15-31-26(36-24(22)35-25)40-20-7-8-30-23(14-20)32-17(2)39;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/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,34,35)(H,32,33,40);5-8,13-15H,4,9-12,16H2,1-3H3,(H,30,32,39)(H2,31,33,34,35,36);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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 2308.44 g/mol, XLogP of 21.66, 33 rotatable bonds, 12 hydrogen bond donors, and 39 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-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-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 165069729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).