C303H322N46O29S2 — CID 159224481
N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol (PubChem CID 159224481) has the molecular formula C303H322N46O29S2 and a molecular weight of 5136.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol.
| Compound Name | N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol |
|---|---|
| PubChem CID | 159224481 |
| Molecular Formula | C303H322N46O29S2 |
| Molecular Weight | 5136.34 g/mol |
| Exact Mass | 5132.46 |
| IUPAC Name | N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol |
| SMILES | CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCO)c4)n3)ccc2C1.Cc1cc2cc(Oc3ccnc(Cc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2[nH]1 |
| InChI | InChI=1S/C28H32N4O2.C27H30N4O2.C26H28N4O4S.2C26H28N4O2.C25H26N4O2.C25H24N4O2.C25H26N4O2.C25H28N4O2.C24H26N4O2.C24H25N3O4S.C22H21N3O3/c1-20-15-24-18-25(5-6-26(24)30-20)34-28-7-11-29-27(31-28)17-22-3-2-4-23(16-22)19-32-12-8-21(9-13-32)10-14-33;1-19-13-22-5-6-25(16-23(22)14-19)33-26-7-10-28-27(30-26)29-24-4-2-3-21(15-24)17-31-11-8-20(18-32)9-12-31;1-18-14-19-6-7-24(16-20(19)15-18)34-25-8-11-27-26(29-25)28-21-4-3-5-23(17-21)33-22-9-12-30(13-10-22)35(2,31)32;1-18-13-20-5-6-24(15-21(20)14-18)32-25-9-12-28-26(30-25)29-22-3-2-4-23(16-22)31-17-19-7-10-27-11-8-19;1-18-13-20-5-6-24(16-21(20)14-18)32-25-7-10-27-26(29-25)28-22-4-2-3-19(15-22)17-30-11-8-23(31)9-12-30;1-17-12-18-7-8-22(14-19(18)13-17)31-24-9-11-27-25(29-24)28-20-4-2-5-21(15-20)30-23-6-3-10-26-16-23;1-16-11-18-5-8-22(15-19(18)12-16)31-24-9-10-26-25(29-24)28-21-4-2-3-17(13-21)14-23(30)27-20-6-7-20;1-17-13-18-5-6-23(15-19(18)14-17)31-24-9-12-27-25(29-24)28-20-3-2-4-22(16-20)30-21-7-10-26-11-8-21;1-18-14-19-8-9-23(16-20(19)15-18)31-24-10-11-26-25(28-24)27-21-6-4-7-22(17-21)30-13-5-12-29(2)3;1-17-13-18-7-8-22(15-19(18)14-17)30-23-9-10-25-24(27-23)26-20-5-4-6-21(16-20)29-12-11-28(2)3;1-17-13-18-7-8-22(15-19(18)14-17)31-23-9-10-25-24(27-23)26-20-5-3-6-21(16-20)30-11-4-12-32(2,28)29;1-15-11-16-5-6-20(13-17(16)12-15)28-21-7-8-23-22(25-21)24-18-3-2-4-19(14-18)27-10-9-26/h2-7,11,15-16,18,21,30,33H,8-10,12-14,17,19H2,1H3;2-7,10,14-16,20,32H,8-9,11-13,17-18H2,1H3,(H,28,29,30);3-8,11,15-17,22H,9-10,12-14H2,1-2H3,(H,27,28,29);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H,28,29,30);2-7,10,14-16,23,31H,8-9,11-13,17H2,1H3,(H,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H,27,28,29);2-5,8-10,12-13,15,20H,6-7,11,14H2,1H3,(H,27,30)(H,26,28,29);2-6,9,12,14-16,21,26H,7-8,10-11,13H2,1H3,(H,27,28,29);4,6-11,15-17H,5,12-14H2,1-3H3,(H,26,27,28);4-10,14-16H,11-13H2,1-3H3,(H,25,26,27);3,5-10,14-16H,4,11-13H2,1-2H3,(H,25,26,27);2-8,12-14,26H,9-11H2,1H3,(H,23,24,25) |
| InChIKey | KSCPLNACSNXBDB-UHFFFAOYSA-N |
| XLogP | 59.82 |
| TPSA | 875.91 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 72 |
| Rotatable Bonds | 87 |
| Heavy Atoms | 380 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5136.34 |
| LogP ≤ 5 | 59.82 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 72 |