4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C126H145F4N21O10S — CID 158282576

IUPAC4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC.C=C1Cc2ccc(Nc3cc(NCc4cccnc4N(C)S(C)(=O)=O)c(C)cn3)cc2O1.CCC(=O)c1cccc(Nc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(CC(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccc(F)cc2OC)c(C)cn1
InChIInChI=1S/C27H32N4O2.C27H34N4O.C25H29FN4O2.C23H21F3N4O2.C23H25N5O3S.CH4/c1-4-25(32)20-9-8-10-21(15-20)29-24-17-27(28-18-19(24)2)30-23-12-11-22(16-26(23)33-3)31-13-6-5-7-14-31;1-20-19-28-26(18-24(20)30-27(2,3)21-11-7-5-8-12-21)29-23-14-13-22(17-25(23)32-4)31-15-9-6-10-16-31;1-17-16-27-25(15-22(17)28-20-9-7-18(26)13-23(20)31-2)29-21-10-8-19(14-24(21)32-3)30-11-5-4-6-12-30;1-14(31)11-15-7-9-16(10-8-15)29-21-12-20(18(13-28-21)23(24,25)26)30-19-6-4-3-5-17(19)22(32)27-2;1-15-13-26-22(27-19-8-7-17-10-16(2)31-21(17)11-19)12-20(15)25-14-18-6-5-9-24-23(18)28(3)32(4,29)30;/h8-12,15-18H,4-7,13-14H2,1-3H3,(H2,28,29,30);5,7-8,11-14,17-19H,6,9-10,15-16H2,1-4H3,(H2,28,29,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H2,27,28,29);3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30);5-9,11-13H,2,10,14H2,1,3-4H3,(H2,25,26,27);1H4
InChIKeyGKJTWMQKIQPURV-UHFFFAOYSA-N
MW2221.74 g/mol
LogP28.67
Rot. Bonds36

About 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 158282576) has the molecular formula C126H145F4N21O10S and a molecular weight of 2221.74 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID158282576
Molecular FormulaC126H145F4N21O10S
Molecular Weight2221.74 g/mol
Exact Mass2220.11
IUPAC Name4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC.C=C1Cc2ccc(Nc3cc(NCc4cccnc4N(C)S(C)(=O)=O)c(C)cn3)cc2O1.CCC(=O)c1cccc(Nc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(CC(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccc(F)cc2OC)c(C)cn1
InChIInChI=1S/C27H32N4O2.C27H34N4O.C25H29FN4O2.C23H21F3N4O2.C23H25N5O3S.CH4/c1-4-25(32)20-9-8-10-21(15-20)29-24-17-27(28-18-19(24)2)30-23-12-11-22(16-26(23)33-3)31-13-6-5-7-14-31;1-20-19-28-26(18-24(20)30-27(2,3)21-11-7-5-8-12-21)29-23-14-13-22(17-25(23)32-4)31-15-9-6-10-16-31;1-17-16-27-25(15-22(17)28-20-9-7-18(26)13-23(20)31-2)29-21-10-8-19(14-24(21)32-3)30-11-5-4-6-12-30;1-14(31)11-15-7-9-16(10-8-15)29-21-12-20(18(13-28-21)23(24,25)26)30-19-6-4-3-5-17(19)22(32)27-2;1-15-13-26-22(27-19-8-7-17-10-16(2)31-21(17)11-19)12-20(15)25-14-18-6-5-9-24-23(18)28(3)32(4,29)30;/h8-12,15-18H,4-7,13-14H2,1-3H3,(H2,28,29,30);5,7-8,11-14,17-19H,6,9-10,15-16H2,1-4H3,(H2,28,29,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H2,27,28,29);3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30);5-9,11-13H,2,10,14H2,1,3-4H3,(H2,25,26,27);1H4
InChIKeyGKJTWMQKIQPURV-UHFFFAOYSA-N
XLogP28.67
TPSA354.13 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.74
LogP ≤ 528.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
CID 157103226
2-[[2-[(3-acetyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[[(4aS)-3-(oxan-4-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[(3-ethyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-[[2-[(3-ethylsulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[[3-(2,2,2-trifluoroacetyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[5-methyl-2-[[3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-4-pyridinyl]amino]benzamide;sulfane
CID 158154054
4,5-difluoro-2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;4,5-difluoro-N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N-dimethyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-4-carboxamide;N-methyl-4-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 158257585
4,5-difluoro-2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;4,5-difluoro-N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-4-carboxamide;N-methyl-4-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 158642015
N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine
CID 158821844
2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159087332
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159091216
2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159274531
5-[[4-[4-[(3-fluoro-5-methylphenyl)carbamoylamino]-N-methylanilino]pyrimidin-2-yl]methyl]-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzamide;1-[4-[[2-(4-methoxy-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-[4-(4-methylpiperazin-1-yl)-3-propanoylanilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-(4-morpholin-4-yl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 159344319
2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159459986
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 160107028
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;2-anilino-N-[(4-methoxyphenyl)methyl]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;2-anilino-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 160219679

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 158282576) is 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is C.C=C1Cc2ccc(Nc3cc(NCc4cccnc4N(C)S(C)(=O)=O)c(C)cn3)cc2O1.CCC(=O)c1cccc(Nc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(CC(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccc(F)cc2OC)c(C)cn1.
What is the InChIKey of 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is GKJTWMQKIQPURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C27H34N4O.C25H29FN4O2.C23H21F3N4O2.C23H25N5O3S.CH4/c1-4-25(32)20-9-8-10-21(15-20)29-24-17-27(28-18-19(24)2)30-23-12-11-22(16-26(23)33-3)31-13-6-5-7-14-31;1-20-19-28-26(18-24(20)30-27(2,3)21-11-7-5-8-12-21)29-23-14-13-22(17-25(23)32-4)31-15-9-6-10-16-31;1-17-16-27-25(15-22(17)28-20-9-7-18(26)13-23(20)31-2)29-21-10-8-19(14-24(21)32-3)30-11-5-4-6-12-30;1-14(31)11-15-7-9-16(10-8-15)29-21-12-20(18(13-28-21)23(24,25)26)30-19-6-4-3-5-17(19)22(32)27-2;1-15-13-26-22(27-19-8-7-17-10-16(2)31-21(17)11-19)12-20(15)25-14-18-6-5-9-24-23(18)28(3)32(4,29)30;/h8-12,15-18H,4-7,13-14H2,1-3H3,(H2,28,29,30);5,7-8,11-14,17-19H,6,9-10,15-16H2,1-4H3,(H2,28,29,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H2,27,28,29);3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30);5-9,11-13H,2,10,14H2,1,3-4H3,(H2,25,26,27);1H4.
What are the key properties of 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 2221.74 g/mol, XLogP of 28.67, 36 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 158282576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).