C96H73Cl3F9N25 — CID 159535277
N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 159535277) has the molecular formula C96H73Cl3F9N25 and a molecular weight of 1854.16 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
| Compound Name | N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine |
|---|---|
| PubChem CID | 159535277 |
| Molecular Formula | C96H73Cl3F9N25 |
| Molecular Weight | 1854.16 g/mol |
| Exact Mass | 1851.54 |
| IUPAC Name | N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine |
| SMILES | Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)n[nH]1.Cc1nc(-c2ccccc2C(F)(F)F)nc(Nc2n[nH]c3ccc(F)cc23)c1C.Cc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4c3CCC4)c2c1 |
| InChI | InChI=1S/C20H15ClFN5.C20H15F4N5.C19H15ClFN5.C19H14F3N5.C18H14ClN5/c21-15-6-2-1-4-12(15)18-23-16-7-3-5-13(16)19(24-18)25-20-14-10-11(22)8-9-17(14)26-27-20;1-10-11(2)25-18(13-5-3-4-6-15(13)20(22,23)24)26-17(10)27-19-14-9-12(21)7-8-16(14)28-29-19;1-10-11(2)22-18(13-5-3-4-6-15(13)20)23-17(10)24-19-14-9-12(21)7-8-16(14)25-26-19;1-11-10-16(27-26-11)24-18-13-7-3-5-9-15(13)23-17(25-18)12-6-2-4-8-14(12)19(20,21)22;1-11-10-16(24-23-11)21-18-13-7-3-5-9-15(13)20-17(22-18)12-6-2-4-8-14(12)19/h1-2,4,6,8-10H,3,5,7H2,(H2,23,24,25,26,27);3-9H,1-2H3,(H2,25,26,27,28,29);3-9H,1-2H3,(H2,22,23,24,25,26);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,20,21,22,23,24) |
| InChIKey | MDMVAXGJRZLJID-UHFFFAOYSA-N |
| XLogP | 25.57 |
| TPSA | 332.45 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1854.16 |
| LogP ≤ 5 | 25.57 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |