C150H192F4N34O6 — CID 158232348
5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) (PubChem CID 158232348) has the molecular formula C150H192F4N34O6 and a molecular weight of 2643.41 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine).
| Compound Name | 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) |
|---|---|
| PubChem CID | 158232348 |
| Molecular Formula | C150H192F4N34O6 |
| Molecular Weight | 2643.41 g/mol |
| Exact Mass | 2641.57 |
| IUPAC Name | 5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;3-methyl-5-[5-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;4-[3-[3-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine) |
| SMILES | CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)c1nc(-c2cnc(N)c(OC(C)c3ccccn3)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cc(C34CC(N5CCOCC5)(C3)C4)n(C(C)C)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C31H38FN7.2C27H34N6O2.C22H27F3N4O.C22H30N6.C21H29N5O/c1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*1-18(2)25-31-22(14-33(25)27-15-26(16-27,17-27)32-8-10-34-11-9-32)20-12-23(24(28)30-13-20)35-19(3)21-6-4-5-7-29-21;1-14(2)29-19(20-11-21(12-20,13-20)28-4-6-30-7-5-28)9-18(27-29)16-8-17(22(23,24)25)15(3)26-10-16;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-14(2)26-18(9-17(24-26)16-8-15(3)19(22)23-10-16)20-11-21(12-20,13-20)25-4-6-27-7-5-25/h4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H2,28,30);8-10,14H,4-7,11-13H2,1-3H3;9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23) |
| InChIKey | GENLGDFXFKVGLB-UHFFFAOYSA-N |
| XLogP | 23.42 |
| TPSA | 413.24 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2643.41 |
| LogP ≤ 5 | 23.42 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 40 |