4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

C252H260F10N42O26S6 — CID 158756616

IUPAC4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)c2F)C1.CNC(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H31FN4O2.C27H30FN5O2.C26H28FN5O3S.C26H27FN4O4S.C26H27FN4O3S.C26H27FN4O2S.C26H27FN4O2.C24H25FN4O3S.C22H19FN4O2.C21H19FN4O3S/c1-20-17-23-24(31-20)9-10-25(28(23)29)35-27-11-12-30-26(32-27)19-21-7-5-8-22(18-21)34-16-6-15-33-13-3-2-4-14-33;1-19-15-22-23(30-19)5-6-24(27(22)28)35-26-7-8-29-25(31-26)17-20-3-2-4-21(16-20)18-33-11-9-32(10-12-33)13-14-34;1-18-14-21-22(29-18)6-7-23(26(21)27)35-25-8-9-28-24(30-25)16-19-4-3-5-20(15-19)17-31-10-12-32(13-11-31)36(2,33)34;1-18-15-19-5-6-23(25(27)22(19)16-18)35-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)36(32,33)14-11-31-9-12-34-13-10-31;1-18-15-19-7-8-23(25(27)22(19)16-18)34-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)35(32,33)14-13-31-11-2-3-12-31;1-18-15-19-5-6-23(25(27)22(19)16-18)33-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)32-12-9-31-10-13-34-14-11-31;1-18-15-19-7-8-23(25(27)22(19)16-18)33-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)32-14-13-31-11-2-3-12-31;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-13-10-16-17(26-13)6-7-18(21(16)23)29-20-8-9-25-19(27-20)12-14-4-3-5-15(11-14)22(28)24-2;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-12,17-18,31H,2-4,6,13-16,19H2,1H3;2-8,15-16,30,34H,9-14,17-18H2,1H3;3-9,14-15,29H,10-13,16-17H2,1-2H3;2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);3-11,26H,12H2,1-2H3,(H,24,28);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyIODQJZGSRHYIDF-UHFFFAOYSA-N
MW4675.50 g/mol
LogP47.64
Rot. Bonds76

About 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 158756616) has the molecular formula C252H260F10N42O26S6 and a molecular weight of 4675.50 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
PubChem CID158756616
Molecular FormulaC252H260F10N42O26S6
Molecular Weight4675.50 g/mol
Exact Mass4671.85
IUPAC Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)c2F)C1.CNC(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H31FN4O2.C27H30FN5O2.C26H28FN5O3S.C26H27FN4O4S.C26H27FN4O3S.C26H27FN4O2S.C26H27FN4O2.C24H25FN4O3S.C22H19FN4O2.C21H19FN4O3S/c1-20-17-23-24(31-20)9-10-25(28(23)29)35-27-11-12-30-26(32-27)19-21-7-5-8-22(18-21)34-16-6-15-33-13-3-2-4-14-33;1-19-15-22-23(30-19)5-6-24(27(22)28)35-26-7-8-29-25(31-26)17-20-3-2-4-21(16-20)18-33-11-9-32(10-12-33)13-14-34;1-18-14-21-22(29-18)6-7-23(26(21)27)35-25-8-9-28-24(30-25)16-19-4-3-5-20(15-19)17-31-10-12-32(13-11-31)36(2,33)34;1-18-15-19-5-6-23(25(27)22(19)16-18)35-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)36(32,33)14-11-31-9-12-34-13-10-31;1-18-15-19-7-8-23(25(27)22(19)16-18)34-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)35(32,33)14-13-31-11-2-3-12-31;1-18-15-19-5-6-23(25(27)22(19)16-18)33-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)32-12-9-31-10-13-34-14-11-31;1-18-15-19-7-8-23(25(27)22(19)16-18)33-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)32-14-13-31-11-2-3-12-31;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-13-10-16-17(26-13)6-7-18(21(16)23)29-20-8-9-25-19(27-20)12-14-4-3-5-15(11-14)22(28)24-2;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-12,17-18,31H,2-4,6,13-16,19H2,1H3;2-8,15-16,30,34H,9-14,17-18H2,1H3;3-9,14-15,29H,10-13,16-17H2,1-2H3;2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);3-11,26H,12H2,1-2H3,(H,24,28);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyIODQJZGSRHYIDF-UHFFFAOYSA-N
XLogP47.64
TPSA795.61 Ų
H-Bond Donors14
H-Bond Acceptors62
Rotatable Bonds76
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004675.50
LogP ≤ 547.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1062

Analyze 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (CID 158756616) is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)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-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)c2F)C1.CNC(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
The InChIKey is IODQJZGSRHYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2.C27H30FN5O2.C26H28FN5O3S.C26H27FN4O4S.C26H27FN4O3S.C26H27FN4O2S.C26H27FN4O2.C24H25FN4O3S.C22H19FN4O2.C21H19FN4O3S/c1-20-17-23-24(31-20)9-10-25(28(23)29)35-27-11-12-30-26(32-27)19-21-7-5-8-22(18-21)34-16-6-15-33-13-3-2-4-14-33;1-19-15-22-23(30-19)5-6-24(27(22)28)35-26-7-8-29-25(31-26)17-20-3-2-4-21(16-20)18-33-11-9-32(10-12-33)13-14-34;1-18-14-21-22(29-18)6-7-23(26(21)27)35-25-8-9-28-24(30-25)16-19-4-3-5-20(15-19)17-31-10-12-32(13-11-31)36(2,33)34;1-18-15-19-5-6-23(25(27)22(19)16-18)35-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)36(32,33)14-11-31-9-12-34-13-10-31;1-18-15-19-7-8-23(25(27)22(19)16-18)34-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)35(32,33)14-13-31-11-2-3-12-31;1-18-15-19-5-6-23(25(27)22(19)16-18)33-24-7-8-28-26(30-24)29-20-3-2-4-21(17-20)32-12-9-31-10-13-34-14-11-31;1-18-15-19-7-8-23(25(27)22(19)16-18)33-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)32-14-13-31-11-2-3-12-31;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-13-10-16-17(26-13)6-7-18(21(16)23)29-20-8-9-25-19(27-20)12-14-4-3-5-15(11-14)22(28)24-2;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28/h5,7-12,17-18,31H,2-4,6,13-16,19H2,1H3;2-8,15-16,30,34H,9-14,17-18H2,1H3;3-9,14-15,29H,10-13,16-17H2,1-2H3;2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);2-8,16-17H,9-15H2,1H3,(H,28,29,30);4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);3-11,26H,12H2,1-2H3,(H,24,28);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?
4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole has a molecular weight of 4675.50 g/mol, XLogP of 47.64, 76 rotatable bonds, 14 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidin-2-amine;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]-N-methylbenzamide;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]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]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 158756616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).