C103H94ClF7N24O9 — CID 157248577
1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 157248577) has the molecular formula C103H94ClF7N24O9 and a molecular weight of 1980.48 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
| Compound Name | 1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
|---|---|
| PubChem CID | 157248577 |
| Molecular Formula | C103H94ClF7N24O9 |
| Molecular Weight | 1980.48 g/mol |
| Exact Mass | 1978.72 |
| IUPAC Name | 1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
| SMILES | COc1ccc(NC(=O)Nc2cccc(-c3[nH]c(N4CCOCC4)nc3-c3ccncc3)c2F)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3[nH]c(N4CCOCC4)nc3-c3ccncc3)c2F)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F.O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2[nH]c(N3CCOCC3)nc2-c2ccncc2)c1F |
| InChI | InChI=1S/C26H22F4N6O2.C26H25FN6O3.C26H25FN6O2.C25H22ClFN6O2/c27-21-19(2-1-3-20(21)33-25(37)32-18-6-4-17(5-7-18)26(28,29)30)23-22(16-8-10-31-11-9-16)34-24(35-23)36-12-14-38-15-13-36;1-35-19-7-5-18(6-8-19)29-26(34)30-21-4-2-3-20(22(21)27)24-23(17-9-11-28-12-10-17)31-25(32-24)33-13-15-36-16-14-33;1-17-5-7-19(8-6-17)29-26(34)30-21-4-2-3-20(22(21)27)24-23(18-9-11-28-12-10-18)31-25(32-24)33-13-15-35-16-14-33;26-17-4-6-18(7-5-17)29-25(34)30-20-3-1-2-19(21(20)27)23-22(16-8-10-28-11-9-16)31-24(32-23)33-12-14-35-15-13-33/h1-11H,12-15H2,(H,34,35)(H2,32,33,37);2-12H,13-16H2,1H3,(H,31,32)(H2,29,30,34);2-12H,13-16H2,1H3,(H,31,32)(H2,29,30,34);1-11H,12-15H2,(H,31,32)(H2,29,30,34) |
| InChIKey | AWBOEBGQSZOBTC-UHFFFAOYSA-N |
| XLogP | 21.02 |
| TPSA | 389.91 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1980.48 |
| LogP ≤ 5 | 21.02 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 21 |