C96H97Cl3F3N25O4S — CID 159201473
N-[4-[2-(2-chlorophenyl)-6-(1H-indazol-3-ylamino)-5-methylpyrimidin-4-yl]cyclohexyl]methanesulfonamide;N-[2-(2-chlorophenyl)-5-methyl-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide (PubChem CID 159201473) has the molecular formula C96H97Cl3F3N25O4S and a molecular weight of 1860.42 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenyl)-6-(1H-indazol-3-ylamino)-5-methylpyrimidin-4-yl]cyclohexyl]methanesulfonamide;N-[2-(2-chlorophenyl)-5-methyl-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide.
| Compound Name | N-[4-[2-(2-chlorophenyl)-6-(1H-indazol-3-ylamino)-5-methylpyrimidin-4-yl]cyclohexyl]methanesulfonamide;N-[2-(2-chlorophenyl)-5-methyl-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide |
|---|---|
| PubChem CID | 159201473 |
| Molecular Formula | C96H97Cl3F3N25O4S |
| Molecular Weight | 1860.42 g/mol |
| Exact Mass | 1857.69 |
| IUPAC Name | N-[4-[2-(2-chlorophenyl)-6-(1H-indazol-3-ylamino)-5-methylpyrimidin-4-yl]cyclohexyl]methanesulfonamide;N-[2-(2-chlorophenyl)-5-methyl-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide |
| SMILES | CC(=O)NC1CCC(c2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2C)CC1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1C1CCC(NS(C)(=O)=O)CC1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCNCC1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCOCC1 |
| InChI | InChI=1S/C27H27F3N6O.C25H27ClN6O2S.C22H22ClN7.C22H21ClN6O/c1-15-23(17-11-13-18(14-12-17)31-16(2)37)32-25(19-7-3-5-9-21(19)27(28,29)30)33-24(15)34-26-20-8-4-6-10-22(20)35-36-26;1-15-22(16-11-13-17(14-12-16)32-35(2,33)34)27-24(18-7-3-5-9-20(18)26)28-23(15)29-25-19-8-4-6-10-21(19)30-31-25;1-14-19(26-21-16-7-3-5-9-18(16)28-29-21)25-20(15-6-2-4-8-17(15)23)27-22(14)30-12-10-24-11-13-30;1-14-19(25-21-16-7-3-5-9-18(16)27-28-21)24-20(15-6-2-4-8-17(15)23)26-22(14)29-10-12-30-13-11-29/h3-10,17-18H,11-14H2,1-2H3,(H,31,37)(H2,32,33,34,35,36);3-10,16-17,32H,11-14H2,1-2H3,(H2,27,28,29,30,31);2-9,24H,10-13H2,1H3,(H2,25,26,27,28,29);2-9H,10-13H2,1H3,(H2,24,25,26,27,28) |
| InChIKey | KPIQLXNRWQVBMY-UHFFFAOYSA-N |
| XLogP | 20.25 |
| TPSA | 368.97 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1860.42 |
| LogP ≤ 5 | 20.25 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 23 |