4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

C137H134F2N24O15S2 — CID 159097364

IUPAC4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cc1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.COc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H31N5O3.C23H21FN4O2.C23H23N3O4S.C22H22N4O3S.C21H19FN4O.C20H18N4O2/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-14-11-16-5-8-19(22(24)18(16)12-14)27-20-9-10-25-23(28-20)26-17-6-3-15(4-7-17)13-21(29)30-2;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);3-10,12H,11,13H2,1-2H3,(H2,25,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H2,23,24,25,26);3-9,11-12,23H,10H2,1-2H3
InChIKeyKCVJTEWDGVTQDY-UHFFFAOYSA-N
MW2458.86 g/mol
LogP25.96
Rot. Bonds40

About 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 159097364) has the molecular formula C137H134F2N24O15S2 and a molecular weight of 2458.86 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
PubChem CID159097364
Molecular FormulaC137H134F2N24O15S2
Molecular Weight2458.86 g/mol
Exact Mass2456.99
IUPAC Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cc1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.COc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H31N5O3.C23H21FN4O2.C23H23N3O4S.C22H22N4O3S.C21H19FN4O.C20H18N4O2/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-14-11-16-5-8-19(22(24)18(16)12-14)27-20-9-10-25-23(28-20)26-17-6-3-15(4-7-17)13-21(29)30-2;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);3-10,12H,11,13H2,1-2H3,(H2,25,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H2,23,24,25,26);3-9,11-12,23H,10H2,1-2H3
InChIKeyKCVJTEWDGVTQDY-UHFFFAOYSA-N
XLogP25.96
TPSA484.12 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.86
LogP ≤ 525.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole with MolForge

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Related Compounds

CID 157490184
CID 157490184
2-[4-[[5-(6-acetamidopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carbonyl]amino]-2-(trifluoromethyl)phenoxy]-3-[[2-[6-[1-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]acetyl]amino]-2-methylpropanoic acid;5-[4-(2-amino-2-oxoethyl)pyrimidin-2-yl]oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 173078971
N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157252279
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-fluoro-2-methyl-5-[[2-[[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 157706165
CID 157813314
CID 157813314
2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N-(2-methoxyethyl)-3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzamide;5-[[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 157983360
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
CID 158162317
CID 158162317
tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158611228
CID 158756616
CID 158756616
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide
CID 158793348

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (CID 159097364) is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)cc1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.COc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The InChIKey is KCVJTEWDGVTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C23H21FN4O2.C23H23N3O4S.C22H22N4O3S.C21H19FN4O.C20H18N4O2/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-14-11-16-5-8-19(22(24)18(16)12-14)27-20-9-10-25-23(28-20)26-17-6-3-15(4-7-17)13-21(29)30-2;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);3-10,12H,11,13H2,1-2H3,(H2,25,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H2,23,24,25,26);3-9,11-12,23H,10H2,1-2H3.
What are the key properties of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole has a molecular weight of 2458.86 g/mol, XLogP of 25.96, 40 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 159097364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).