C136H171F9N28O6 — CID 159825787
[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol;[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol;5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine) (PubChem CID 159825787) has the molecular formula C136H171F9N28O6 and a molecular weight of 2465.04 g/mol. Its IUPAC name is [4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol;[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol;5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine).
| Compound Name | [4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol;[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol;5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine) |
|---|---|
| PubChem CID | 159825787 |
| Molecular Formula | C136H171F9N28O6 |
| Molecular Weight | 2465.04 g/mol |
| Exact Mass | 2463.38 |
| IUPAC Name | [4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol;[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol;5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine) |
| SMILES | CCC(C)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(O)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(C1)C2.Cc1cc(-c2cn(C34CC(C3)C4)c(CO)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C23H29F3N4O.2C22H31N5O.C19H20F3N3O.C18H20F3N3.C17H22N4O.C15H18N4O/c1-4-15(2)20-28-19(17-9-18(23(24,25)26)16(3)27-10-17)11-30(20)22-12-21(13-22,14-22)29-5-7-31-8-6-29;2*1-4-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-10-14(19(20,21)22)4-13(8-23-10)15-9-25(18-5-11(6-18)7-18)17(24-15)16(26)12-2-3-12;1-10(2)16-23-15(9-24(16)17-5-12(6-17)7-17)13-4-14(18(19,20)21)11(3)22-8-13;1-3-14(22)16-20-13(12-4-10(2)15(18)19-8-12)9-21(16)17-5-11(6-17)7-17;1-9-2-11(6-17-14(9)16)12-7-19(13(8-20)18-12)15-3-10(4-15)5-15/h9-11,15H,4-8,12-14H2,1-3H3;2*9-11,15H,4-8,12-14H2,1-3H3,(H2,23,24);4,8-9,11-12,16,26H,2-3,5-7H2,1H3;4,8-10,12H,5-7H2,1-3H3;4,8-9,11,14,22H,3,5-7H2,1-2H3,(H2,18,19);2,6-7,10,20H,3-5,8H2,1H3,(H2,16,17) |
| InChIKey | NMUUGOACOUAQBC-UHFFFAOYSA-N |
| XLogP | 25.13 |
| TPSA | 417.15 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2465.04 |
| LogP ≤ 5 | 25.13 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 34 |