C132H110F7N31O18S5 — CID 159846497
4-amino-N-[5-[[4-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;N-[5-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-8-yl)amino]phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide;5-(4-fluorophenyl)-1-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonylimidazole-4-carboxamide;4-[4-[[5-(4-fluorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 159846497) has the molecular formula C132H110F7N31O18S5 and a molecular weight of 2711.85 g/mol. Its IUPAC name is 4-amino-N-[5-[[4-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;N-[5-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-8-yl)amino]phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide;5-(4-fluorophenyl)-1-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonylimidazole-4-carboxamide;4-[4-[[5-(4-fluorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
| Compound Name | 4-amino-N-[5-[[4-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;N-[5-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-8-yl)amino]phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide;5-(4-fluorophenyl)-1-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonylimidazole-4-carboxamide;4-[4-[[5-(4-fluorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide |
|---|---|
| PubChem CID | 159846497 |
| Molecular Formula | C132H110F7N31O18S5 |
| Molecular Weight | 2711.85 g/mol |
| Exact Mass | 2709.71 |
| IUPAC Name | 4-amino-N-[5-[[4-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;N-[5-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-8-yl)amino]phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide;5-(4-fluorophenyl)-1-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonylimidazole-4-carboxamide;4-[4-[[5-(4-fluorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)n(C)c3-c3ccc(F)cc3)cc2)ccn1.Cc1ccc(NC(=O)c2[nH]c(C(C)(F)F)nc2-c2ccc(F)cc2)cc1NC(=O)c1c[nH]c2ncccc12.Cc1ccc(NC(=O)c2[nH]c(S(C)(=O)=O)nc2-c2ccc(F)cc2)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc(NC(=O)c2[nH]c(S(C)(=O)=O)nc2-c2ccc(F)cc2)cc1Nc1cccc2c(=O)n(C)cnc12.Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)n(C)c2-c2ccc(F)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChI | InChI=1S/C28H24FN7O3S.C27H21F3N6O2.C27H23FN6O4S.C25H20FN7O4S2.C25H22FN5O5S/c1-17-6-11-21(15-23(17)34-27-31-14-12-22(33-27)19-5-4-13-30-16-19)32-26(37)24-25(18-7-9-20(29)10-8-18)36(2)28(35-24)40(3,38)39;1-14-5-10-17(12-20(14)34-24(37)19-13-32-23-18(19)4-3-11-31-23)33-25(38)22-21(15-6-8-16(28)9-7-15)35-26(36-22)27(2,29)30;1-15-7-12-18(13-21(15)31-20-6-4-5-19-23(20)29-14-34(2)26(19)36)30-25(35)24-22(16-8-10-17(28)11-9-16)32-27(33-24)39(3,37)38;1-12-3-8-15(9-17(12)31-23(34)16-10-38-21-19(16)28-11-29-22(21)27)30-24(35)20-18(13-4-6-14(26)7-5-13)32-25(33-20)39(2,36)37;1-27-23(32)20-14-19(12-13-28-20)36-18-10-8-17(9-11-18)29-24(33)21-22(15-4-6-16(26)7-5-15)31(2)25(30-21)37(3,34)35/h4-16H,1-3H3,(H,32,37)(H,31,33,34);3-13H,1-2H3,(H,31,32)(H,33,38)(H,34,37)(H,35,36);4-14,31H,1-3H3,(H,30,35)(H,32,33);3-11H,1-2H3,(H,30,35)(H,31,34)(H,32,33)(H2,27,28,29);4-14H,1-3H3,(H,27,32)(H,29,33) |
| InChIKey | NPJKWCPPIXDXJA-UHFFFAOYSA-N |
| XLogP | 22.42 |
| TPSA | 691.26 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2711.85 |
| LogP ≤ 5 | 22.42 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 38 |