C127H110F6N24O5 — CID 159865687
1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]ethanone;3-[(2-anilino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[3-(4-pyrrolidin-1-yl-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]ethanone;4-methyl-3-[[2-(pyridin-3-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 159865687) has the molecular formula C127H110F6N24O5 and a molecular weight of 2166.43 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]ethanone;3-[(2-anilino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[3-(4-pyrrolidin-1-yl-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]ethanone;4-methyl-3-[[2-(pyridin-3-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
| Compound Name | 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]ethanone;3-[(2-anilino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[3-(4-pyrrolidin-1-yl-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]ethanone;4-methyl-3-[[2-(pyridin-3-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide |
|---|---|
| PubChem CID | 159865687 |
| Molecular Formula | C127H110F6N24O5 |
| Molecular Weight | 2166.43 g/mol |
| Exact Mass | 2164.90 |
| IUPAC Name | 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]ethanone;3-[(2-anilino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;2-[3-[4-(cyclopropylamino)-5H-cyclopenta[d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[3-(4-pyrrolidin-1-yl-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]ethanone;4-methyl-3-[[2-(pyridin-3-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide |
| SMILES | Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(Nc2ccccc2)nc2cc[nH]c12.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(Nc2cccnc2)nc2cc[nH]c12.Cc1cccc(C(=O)Cc2cccc(-c3nc4c(c(N5CCCC5)n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc4c(c(NC5CC5)n3)CC=C4)c2)c1.Nc1ccc(C(=O)Cc2cccc(-c3nc4c(c(NC5CC5)n3)CC=C4)c2)cn1 |
| InChI | InChI=1S/C27H21F3N6O.C26H20F3N7O.C26H25N3O.C25H23N3O.C23H21N5O/c1-16-10-11-17(25(37)32-20-9-5-6-18(15-20)27(28,29)30)14-22(16)34-24-23-21(12-13-31-23)35-26(36-24)33-19-7-3-2-4-8-19;1-15-7-8-16(24(37)32-18-5-2-4-17(13-18)26(27,28)29)12-21(15)34-23-22-20(9-11-31-22)35-25(36-23)33-19-6-3-10-30-14-19;1-18-7-4-9-20(15-18)24(30)17-19-8-5-10-21(16-19)25-27-23-12-6-11-22(23)26(28-25)29-13-2-3-14-29;1-16-5-2-7-18(13-16)23(29)15-17-6-3-8-19(14-17)24-27-22-10-4-9-21(22)25(28-24)26-20-11-12-20;24-21-10-7-16(13-25-21)20(29)12-14-3-1-4-15(11-14)22-27-19-6-2-5-18(19)23(28-22)26-17-8-9-17/h2-15,31H,1H3,(H,32,37)(H2,33,34,35,36);2-14,31H,1H3,(H,32,37)(H2,33,34,35,36);4-10,12,15-16H,2-3,11,13-14,17H2,1H3;2-8,10,13-14,20H,9,11-12,15H2,1H3,(H,26,27,28);1-4,6-7,10-11,13,17H,5,8-9,12H2,(H2,24,25)(H,26,27,28) |
| InChIKey | NRRWYGRNAAYNFT-UHFFFAOYSA-N |
| XLogP | 27.20 |
| TPSA | 397.11 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2166.43 |
| LogP ≤ 5 | 27.20 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 25 |