C154H136F11N31O14 — CID 157241863
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 157241863) has the molecular formula C154H136F11N31O14 and a molecular weight of 2853.96 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.
| Compound Name | 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide |
|---|---|
| PubChem CID | 157241863 |
| Molecular Formula | C154H136F11N31O14 |
| Molecular Weight | 2853.96 g/mol |
| Exact Mass | 2852.07 |
| IUPAC Name | 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide |
| SMILES | CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)n2)cc1.CCN(C)C(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1 |
| InChI | InChI=1S/C27H22F3N5O3.2C27H22F3N5O2.C26H21F2N5O2.C25H26N6O3.C22H23N5O2/c1-17(36)33-21-9-7-19(8-10-21)24-13-14-31-26(35-24)34-22-4-2-3-20(15-22)25(37)32-16-18-5-11-23(12-6-18)38-27(28,29)30;1-17(36)33-22-10-8-19(9-11-22)24-12-13-31-26(35-24)34-23-7-3-5-20(15-23)25(37)32-16-18-4-2-6-21(14-18)27(28,29)30;1-17(36)33-22-11-7-19(8-12-22)24-13-14-31-26(35-24)34-23-4-2-3-20(15-23)25(37)32-16-18-5-9-21(10-6-18)27(28,29)30;1-16(34)31-21-9-6-17(7-10-21)24-11-12-29-26(33-24)32-22-4-2-3-18(13-22)25(35)30-15-19-5-8-20(27)14-23(19)28;1-17(32)27-21-8-6-19(7-9-21)23-10-11-26-25(29-23)28-22-5-3-4-20(16-22)24(34)31-14-12-30(13-15-31)18(2)33;1-4-27(3)21(29)17-6-5-7-19(14-17)25-22-23-13-12-20(26-22)16-8-10-18(11-9-16)24-15(2)28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2*2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14H,15H2,1H3,(H,30,35)(H,31,34)(H,29,32,33);3-11,16H,12-15H2,1-2H3,(H,27,32)(H,26,28,29);5-14H,4H2,1-3H3,(H,24,28)(H,23,25,26) |
| InChIKey | AVHRJLHEHUQVFA-UHFFFAOYSA-N |
| XLogP | 29.40 |
| TPSA | 588.02 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 210 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2853.96 |
| LogP ≤ 5 | 29.40 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 32 |