C276H273F11N40O32S3 — CID 158162317
N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 158162317) has the molecular formula C276H273F11N40O32S3 and a molecular weight of 4967.65 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.
| Compound Name | N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole |
|---|---|
| PubChem CID | 158162317 |
| Molecular Formula | C276H273F11N40O32S3 |
| Molecular Weight | 4967.65 g/mol |
| Exact Mass | 4964.00 |
| IUPAC Name | N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole |
| SMILES | CC1=Cc2c(ccc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(C(=O)CCCO)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CCS(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(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCC5CCOCC5)c4)n3)ccc2[nH]1 |
| InChI | InChI=1S/C31H36FN5O4.C29H31FN4O2.C28H29FN4O3.C26H26FN3O3.C25H23FN4O3.C25H24FN3O3.C24H22FN3O3.C23H22FN3O3S.C22H21FN4O2.C22H20FN3O3S.C21H19FN4O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)40-27-10-11-33-29(35-27)34-23-6-5-7-24(20-23)39-17-16-36-12-14-37(15-13-36)30(38)41-31(2,3)4;1-20-17-21-10-11-26(28(30)24(21)18-20)36-27-12-13-31-29(33-27)32-23-8-5-7-22(19-23)25(35)9-6-16-34-14-3-2-4-15-34;1-19-16-20-7-8-25(27(29)23(20)17-19)36-26-9-10-30-28(32-26)31-22-5-2-4-21(18-22)24(34)6-3-11-33-12-14-35-15-13-33;1-17-13-21-22(29-17)5-6-23(26(21)27)33-25-7-10-28-24(30-25)15-19-3-2-4-20(14-19)32-16-18-8-11-31-12-9-18;1-15-12-16-6-8-21(24(26)19(16)13-15)33-23-10-11-28-25(30-23)29-18-5-3-4-17(14-18)20(31)7-9-22(32)27-2;1-16-13-17-5-6-22(24(26)21(17)14-16)32-23-7-10-27-25(29-23)28-18-3-2-4-20(15-18)31-19-8-11-30-12-9-19;1-15-12-16-7-8-21(23(25)19(16)13-15)31-22-9-10-26-24(28-22)27-18-5-2-4-17(14-18)20(30)6-3-11-29;1-15-12-17-6-7-20(22(24)19(17)13-15)30-21-8-10-25-23(27-21)26-18-5-3-4-16(14-18)9-11-31(2,28)29;1-14-11-15-5-6-19(21(23)18(15)12-14)29-20-7-9-25-22(27-20)26-16-3-2-4-17(13-16)28-10-8-24;1-14-11-16-5-8-19(21(23)18(16)12-14)29-20-9-10-24-22(26-20)25-17-6-3-15(4-7-17)13-30(2,27)28;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/h5-11,19-20H,12-18H2,1-4H3,(H,33,34,35);5,7-8,10-13,18-19H,2-4,6,9,14-17H2,1H3,(H,31,32,33);2,4-5,7-10,17-18H,3,6,11-16H2,1H3,(H,30,31,32);2-7,10,13-14,18,29H,8-9,11-12,15-16H2,1H3;3-6,8,10-11,13-14H,7,9,12H2,1-2H3,(H,27,32)(H,28,29,30);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28,29);2,4-5,7-10,13-14,29H,3,6,11-12H2,1H3,(H,26,27,28);3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,26,27);2-7,9,12-13H,8,10-11,24H2,1H3,(H,25,26,27);3-10,12H,11,13H2,1-2H3,(H,24,25,26);3-9,11-12,26H,10H2,1-2H3,(H,23,24,25) |
| InChIKey | FWKPDRHSCXGIQM-UHFFFAOYSA-N |
| XLogP | 57.44 |
| TPSA | 883.15 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 68 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 362 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4967.65 |
| LogP ≤ 5 | 57.44 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 68 |