4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide

C245H247F13N46O18S4 — CID 157490184

IUPAC4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
SMILESCC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccc(NS(=O)(=O)C(F)(F)F)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C29H33FN4O.C27H30FN5O3S.C27H26FN5O2.C26H28FN5O.C24H24FN5O3S.C24H24FN3O2.C23H24FN5O.C22H18F4N4O2S.C22H20FN5O.C21H20FN5O2S/c1-21-17-26-27(32-21)10-9-23(29(26)30)20-24-11-12-31-28(33-24)19-22-7-5-8-25(18-22)35-16-6-15-34-13-3-2-4-14-34;1-19-16-20-6-7-24(26(28)23(20)17-19)31-25-8-9-29-27(32-25)30-21-4-2-5-22(18-21)36-13-3-10-33-11-14-37(34,35)15-12-33;1-18-15-20-6-7-23(26(28)22(20)16-18)31-24-9-10-29-27(32-24)30-21-4-2-3-19(17-21)5-8-25(34)33-11-13-35-14-12-33;1-17-14-18-9-10-22(25(27)21(18)15-17)30-24-11-12-28-26(31-24)29-20-7-4-6-19(16-20)23(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-15-12-16-6-7-20(22(24)19(16)13-15)28-21-8-9-26-23(29-21)27-17-4-3-5-18(14-17)30-11-10-25-2;1-13-10-18-19(28-13)7-4-15(21(18)23)12-17-8-9-27-20(29-17)11-14-2-5-16(6-3-14)30-33(31,32)22(24,25)26;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h5,7-12,17-18,32H,2-4,6,13-16,19-20H2,1H3;2,4-9,17-18H,3,10-16H2,1H3,(H2,29,30,31,32);2-10,16-17H,11-15H2,1H3,(H2,29,30,31,32);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H2,28,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,13-14,25H,10-12H2,1-2H3,(H2,26,27,28,29);2-10,28,30H,11-12H2,1H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27)/b;;8-5+;;;;;;;
InChIKeyBXEHGAQPOMHZJL-GSIWQXTISA-N
MW4499.22 g/mol
LogP47.04
Rot. Bonds72

About 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide

4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide (PubChem CID 157490184) has the molecular formula C245H247F13N46O18S4 and a molecular weight of 4499.22 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
PubChem CID157490184
Molecular FormulaC245H247F13N46O18S4
Molecular Weight4499.22 g/mol
Exact Mass4495.85
IUPAC Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
SMILESCC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccc(NS(=O)(=O)C(F)(F)F)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C29H33FN4O.C27H30FN5O3S.C27H26FN5O2.C26H28FN5O.C24H24FN5O3S.C24H24FN3O2.C23H24FN5O.C22H18F4N4O2S.C22H20FN5O.C21H20FN5O2S/c1-21-17-26-27(32-21)10-9-23(29(26)30)20-24-11-12-31-28(33-24)19-22-7-5-8-25(18-22)35-16-6-15-34-13-3-2-4-14-34;1-19-16-20-6-7-24(26(28)23(20)17-19)31-25-8-9-29-27(32-25)30-21-4-2-5-22(18-21)36-13-3-10-33-11-14-37(34,35)15-12-33;1-18-15-20-6-7-23(26(28)22(20)16-18)31-24-9-10-29-27(32-24)30-21-4-2-3-19(17-21)5-8-25(34)33-11-13-35-14-12-33;1-17-14-18-9-10-22(25(27)21(18)15-17)30-24-11-12-28-26(31-24)29-20-7-4-6-19(16-20)23(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-15-12-16-6-7-20(22(24)19(16)13-15)28-21-8-9-26-23(29-21)27-17-4-3-5-18(14-17)30-11-10-25-2;1-13-10-18-19(28-13)7-4-15(21(18)23)12-17-8-9-27-20(29-17)11-14-2-5-16(6-3-14)30-33(31,32)22(24,25)26;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h5,7-12,17-18,32H,2-4,6,13-16,19-20H2,1H3;2,4-9,17-18H,3,10-16H2,1H3,(H2,29,30,31,32);2-10,16-17H,11-15H2,1H3,(H2,29,30,31,32);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H2,28,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,13-14,25H,10-12H2,1-2H3,(H2,26,27,28,29);2-10,28,30H,11-12H2,1H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27)/b;;8-5+;;;;;;;
InChIKeyBXEHGAQPOMHZJL-GSIWQXTISA-N
XLogP47.04
TPSA794.91 Ų
H-Bond Donors20
H-Bond Acceptors55
Rotatable Bonds72
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004499.22
LogP ≤ 547.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1055

Analyze 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide with MolForge

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What is the IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide (CID 157490184) is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide is CC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNCCOc1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccc(NS(=O)(=O)C(F)(F)F)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is BXEHGAQPOMHZJL-GSIWQXTISA-N. The full InChI is InChI=1S/C29H33FN4O.C27H30FN5O3S.C27H26FN5O2.C26H28FN5O.C24H24FN5O3S.C24H24FN3O2.C23H24FN5O.C22H18F4N4O2S.C22H20FN5O.C21H20FN5O2S/c1-21-17-26-27(32-21)10-9-23(29(26)30)20-24-11-12-31-28(33-24)19-22-7-5-8-25(18-22)35-16-6-15-34-13-3-2-4-14-34;1-19-16-20-6-7-24(26(28)23(20)17-19)31-25-8-9-29-27(32-25)30-21-4-2-5-22(18-21)36-13-3-10-33-11-14-37(34,35)15-12-33;1-18-15-20-6-7-23(26(28)22(20)16-18)31-24-9-10-29-27(32-24)30-21-4-2-3-19(17-21)5-8-25(34)33-11-13-35-14-12-33;1-17-14-18-9-10-22(25(27)21(18)15-17)30-24-11-12-28-26(31-24)29-20-7-4-6-19(16-20)23(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-15-12-16-6-7-20(22(24)19(16)13-15)28-21-8-9-26-23(29-21)27-17-4-3-5-18(14-17)30-11-10-25-2;1-13-10-18-19(28-13)7-4-15(21(18)23)12-17-8-9-27-20(29-17)11-14-2-5-16(6-3-14)30-33(31,32)22(24,25)26;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h5,7-12,17-18,32H,2-4,6,13-16,19-20H2,1H3;2,4-9,17-18H,3,10-16H2,1H3,(H2,29,30,31,32);2-10,16-17H,11-15H2,1H3,(H2,29,30,31,32);4,6-7,9-12,15-16H,5,8,13-14H2,1-3H3,(H2,28,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,13-14,25H,10-12H2,1-2H3,(H2,26,27,28,29);2-10,28,30H,11-12H2,1H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27)/b;;8-5+;;;;;;;.
What are the key properties of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide?
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 4499.22 g/mol, XLogP of 47.04, 72 rotatable bonds, 20 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-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-inden-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;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidine-2,4-diamine;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;4-fluoro-2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 157490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).