2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one

C146H167N29O12S2 — CID 162025976

IUPAC2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one
SMILESCNCc1ccccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC)c(C)cn1.CNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccc3c2C(=O)N(C)C3)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccn2)c(C)cn1.Cc1cnc(Nc2cccc3c2C(=O)N(C)C3)cc1Nc1cccc2c1C(=O)N(C)C2
InChIInChI=1S/C27H31N5O2.C26H30N4O2.C25H31N5O3S.C24H23N5O2.C23H27N5O.C21H25N5O2S/c1-18-16-28-25(15-23(18)29-22-9-7-8-19-17-31(2)27(33)26(19)22)30-21-11-10-20(14-24(21)34-3)32-12-5-4-6-13-32;1-18-17-27-26(16-24(18)28-22-10-6-5-9-21(22)19(2)31)29-23-12-11-20(15-25(23)32-3)30-13-7-4-8-14-30;1-18-17-27-25(16-22(18)28-21-9-5-6-10-24(21)34(31,32)26-2)29-20-12-11-19(15-23(20)33-3)30-13-7-4-8-14-30;1-14-11-25-20(27-18-9-5-7-16-13-29(3)24(31)22(16)18)10-19(14)26-17-8-4-6-15-12-28(2)23(30)21(15)17;1-17-16-25-23(15-20(17)27-22-8-4-5-11-24-22)26-19-10-9-18(14-21(19)29-2)28-12-6-3-7-13-28;1-15-13-24-21(26-17-9-5-4-8-16(17)14-22-2)12-19(15)25-18-10-6-7-11-20(18)29(27,28)23-3/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H2,28,29,30);5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);5-6,9-12,15-17,26H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);4-11H,12-13H2,1-3H3,(H2,25,26,27);4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,24,25,26,27);4-13,22-23H,14H2,1-3H3,(H2,24,25,26)
InChIKeyYVJLHEDADYDUEI-UHFFFAOYSA-N
MW2584.27 g/mol
LogP29.15
Rot. Bonds39

About 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one

2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one (PubChem CID 162025976) has the molecular formula C146H167N29O12S2 and a molecular weight of 2584.27 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one
PubChem CID162025976
Molecular FormulaC146H167N29O12S2
Molecular Weight2584.27 g/mol
Exact Mass2582.28
IUPAC Name2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one
SMILESCNCc1ccccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC)c(C)cn1.CNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccc3c2C(=O)N(C)C3)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccn2)c(C)cn1.Cc1cnc(Nc2cccc3c2C(=O)N(C)C3)cc1Nc1cccc2c1C(=O)N(C)C2
InChIInChI=1S/C27H31N5O2.C26H30N4O2.C25H31N5O3S.C24H23N5O2.C23H27N5O.C21H25N5O2S/c1-18-16-28-25(15-23(18)29-22-9-7-8-19-17-31(2)27(33)26(19)22)30-21-11-10-20(14-24(21)34-3)32-12-5-4-6-13-32;1-18-17-27-26(16-24(18)28-22-10-6-5-9-21(22)19(2)31)29-23-12-11-20(15-25(23)32-3)30-13-7-4-8-14-30;1-18-17-27-25(16-22(18)28-21-9-5-6-10-24(21)34(31,32)26-2)29-20-12-11-19(15-23(20)33-3)30-13-7-4-8-14-30;1-14-11-25-20(27-18-9-5-7-16-13-29(3)24(31)22(16)18)10-19(14)26-17-8-4-6-15-12-28(2)23(30)21(15)17;1-17-16-25-23(15-20(17)27-22-8-4-5-11-24-22)26-19-10-9-18(14-21(19)29-2)28-12-6-3-7-13-28;1-15-13-24-21(26-17-9-5-4-8-16(17)14-22-2)12-19(15)25-18-10-6-7-11-20(18)29(27,28)23-3/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H2,28,29,30);5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);5-6,9-12,15-17,26H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);4-11H,12-13H2,1-3H3,(H2,25,26,27);4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,24,25,26,27);4-13,22-23H,14H2,1-3H3,(H2,24,25,26)
InChIKeyYVJLHEDADYDUEI-UHFFFAOYSA-N
XLogP29.15
TPSA466.84 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.27
LogP ≤ 529.15
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-[[2-[2-methoxy-4-[2-[[4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyridin-2-yl]amino]-3-oxo-1H-isoindol-2-yl]methyl]morpholin-4-yl]anilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-2-methyl-3H-isoindol-1-one
CID 145477945
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
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
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;2-N-(2-methylidene-1,3-dihydroinden-5-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;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 159301421
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
7-({2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2,3-dihydro-1H-isoindol-1-one
CID 59441626
4-[[3-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762662
4-[[7-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-7-oxoheptyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762748
4-[[6-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762787
4-[[5-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-5-oxopentyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762798
4-[[2-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762890
4-[[4-[4-[1-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 141762979

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one?
The IUPAC name of 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one (CID 162025976) is 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one is CNCc1ccccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC)c(C)cn1.CNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccc3c2C(=O)N(C)C3)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccn2)c(C)cn1.Cc1cnc(Nc2cccc3c2C(=O)N(C)C3)cc1Nc1cccc2c1C(=O)N(C)C2.
What is the InChIKey of 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one?
The InChIKey is YVJLHEDADYDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2.C26H30N4O2.C25H31N5O3S.C24H23N5O2.C23H27N5O.C21H25N5O2S/c1-18-16-28-25(15-23(18)29-22-9-7-8-19-17-31(2)27(33)26(19)22)30-21-11-10-20(14-24(21)34-3)32-12-5-4-6-13-32;1-18-17-27-26(16-24(18)28-22-10-6-5-9-21(22)19(2)31)29-23-12-11-20(15-25(23)32-3)30-13-7-4-8-14-30;1-18-17-27-25(16-22(18)28-21-9-5-6-10-24(21)34(31,32)26-2)29-20-12-11-19(15-23(20)33-3)30-13-7-4-8-14-30;1-14-11-25-20(27-18-9-5-7-16-13-29(3)24(31)22(16)18)10-19(14)26-17-8-4-6-15-12-28(2)23(30)21(15)17;1-17-16-25-23(15-20(17)27-22-8-4-5-11-24-22)26-19-10-9-18(14-21(19)29-2)28-12-6-3-7-13-28;1-15-13-24-21(26-17-9-5-4-8-16(17)14-22-2)12-19(15)25-18-10-6-7-11-20(18)29(27,28)23-3/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H2,28,29,30);5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);5-6,9-12,15-17,26H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);4-11H,12-13H2,1-3H3,(H2,25,26,27);4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,24,25,26,27);4-13,22-23H,14H2,1-3H3,(H2,24,25,26).
What are the key properties of 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one?
2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one has a molecular weight of 2584.27 g/mol, XLogP of 29.15, 39 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzenesulfonamide;7-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;N-methyl-2-[[5-methyl-2-[2-(methylaminomethyl)anilino]-4-pyridinyl]amino]benzenesulfonamide;2-methyl-7-[[5-methyl-2-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-4-pyridinyl]amino]-3H-isoindol-1-one is sourced from PubChem (CID 162025976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).