N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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

C244H248FN39O25S2 — CID 158878226

IUPACN-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.COCCNC(=O)c1cccc(Oc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1
InChIInChI=1S/C29H32N4O2.C28H31N5O3.C28H30N4O3.C25H25N3O2.C24H24N4O3.C23H23N3O4S.C23H23N3O.C22H20FN5O2.C22H22N4O3S.C20H18N4O2/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-20-15-22-5-6-25(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;1-20-16-21-7-8-25(19-23(21)17-20)35-27-9-10-29-28(31-27)30-24-5-2-4-22(18-24)26(33)6-3-11-32-12-14-34-15-13-32;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-16-12-17-6-7-20(14-19(17)13-16)27-22-8-9-26-24(28-22)31-21-5-3-4-18(15-21)23(29)25-10-11-30-2;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;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-13-11-16-17(25-13)7-8-18(21(16)23)27-19-9-10-24-22(28-19)26-15-5-3-14(4-6-15)12-20(29)30-2;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;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-5,7-10,17-19H,3,6,11-16H2,1H3,(H,29,30,31);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);3-9,13-15H,10-12H2,1-2H3,(H,25,29)(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-11,25H,12H2,1-2H3,(H2,24,26,27,28);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-9,11-12,23H,10H2,1-2H3
InChIKeyJCSAZKVCNYPFMZ-UHFFFAOYSA-N
MW4210.05 g/mol
LogP48.56
Rot. Bonds75

About N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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

N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 158878226) has the molecular formula C244H248FN39O25S2 and a molecular weight of 4210.05 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 NameN-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 CID158878226
Molecular FormulaC244H248FN39O25S2
Molecular Weight4210.05 g/mol
Exact Mass4206.88
IUPAC NameN-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.COCCNC(=O)c1cccc(Oc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1
InChIInChI=1S/C29H32N4O2.C28H31N5O3.C28H30N4O3.C25H25N3O2.C24H24N4O3.C23H23N3O4S.C23H23N3O.C22H20FN5O2.C22H22N4O3S.C20H18N4O2/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-20-15-22-5-6-25(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;1-20-16-21-7-8-25(19-23(21)17-20)35-27-9-10-29-28(31-27)30-24-5-2-4-22(18-24)26(33)6-3-11-32-12-14-34-15-13-32;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-16-12-17-6-7-20(14-19(17)13-16)27-22-8-9-26-24(28-22)31-21-5-3-4-18(15-21)23(29)25-10-11-30-2;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;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-13-11-16-17(25-13)7-8-18(21(16)23)27-19-9-10-24-22(28-19)26-15-5-3-14(4-6-15)12-20(29)30-2;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;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-5,7-10,17-19H,3,6,11-16H2,1H3,(H,29,30,31);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);3-9,13-15H,10-12H2,1-2H3,(H,25,29)(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-11,25H,12H2,1-2H3,(H2,24,26,27,28);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-9,11-12,23H,10H2,1-2H3
InChIKeyJCSAZKVCNYPFMZ-UHFFFAOYSA-N
XLogP48.56
TPSA781.29 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds75
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004210.05
LogP ≤ 548.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

Analyze N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
CID 157490184
CID 157490184
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 157913213
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 158987226
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 159205109
3-[6-[2-[4-[1-[2-fluoro-4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-7-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167026700
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
2-ethylsulfonyl-N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylethanamine;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(thiomorpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145260732
4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(thiomorpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-methoxy-1H-indol-4-yl)-6-morpholin-4-yl-12-(thiomorpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145260753
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 158878226) is N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.COC(=O)Cc1ccc(Nc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.COCCNC(=O)c1cccc(Oc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)cn1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 JCSAZKVCNYPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C28H31N5O3.C28H30N4O3.C25H25N3O2.C24H24N4O3.C23H23N3O4S.C23H23N3O.C22H20FN5O2.C22H22N4O3S.C20H18N4O2/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-20-15-22-5-6-25(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;1-20-16-21-7-8-25(19-23(21)17-20)35-27-9-10-29-28(31-27)30-24-5-2-4-22(18-24)26(33)6-3-11-32-12-14-34-15-13-32;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-16-12-17-6-7-20(14-19(17)13-16)27-22-8-9-26-24(28-22)31-21-5-3-4-18(15-21)23(29)25-10-11-30-2;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;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-13-11-16-17(25-13)7-8-18(21(16)23)27-19-9-10-24-22(28-19)26-15-5-3-14(4-6-15)12-20(29)30-2;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;1-13-9-15-11-16(4-5-17(15)23-13)26-20-7-8-21-18(24-20)10-14-3-6-19(25-2)22-12-14/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-5,7-10,17-19H,3,6,11-16H2,1H3,(H,29,30,31);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);3-9,13-15H,10-12H2,1-2H3,(H,25,29)(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-11,25H,12H2,1-2H3,(H2,24,26,27,28);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-9,11-12,23H,10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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?
N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 4210.05 g/mol, XLogP of 48.56, 75 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;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 158878226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).