C164H200F12N32O12 — CID 160992704
[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(phenylmethoxymethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 160992704) has the molecular formula C164H200F12N32O12 and a molecular weight of 3039.59 g/mol. Its IUPAC name is [4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(phenylmethoxymethyl)imidazol-4-yl]pyridin-2-amine.
| Compound Name | [4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(phenylmethoxymethyl)imidazol-4-yl]pyridin-2-amine |
|---|---|
| PubChem CID | 160992704 |
| Molecular Formula | C164H200F12N32O12 |
| Molecular Weight | 3039.59 g/mol |
| Exact Mass | 3037.58 |
| IUPAC Name | [4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(phenylmethoxymethyl)imidazol-4-yl]pyridin-2-amine |
| SMILES | CCC(O)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C12CC(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CO)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(COCc3ccccc3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C26H31N5O2.2C22H31N5O2.2C19H20F3N3O.C19H22F3N3O.C19H25N5O2.C18H20F3N3O/c1-19-11-21(12-28-24(19)27)22-13-31(23(29-22)15-33-14-20-5-3-2-4-6-20)26-16-25(17-26,18-26)30-7-9-32-10-8-30;2*1-14(2)18(28)20-25-17(16-8-15(3)19(23)24-9-16)10-27(20)22-11-21(12-22,13-22)26-4-6-29-7-5-26;2*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(26)17-24-15(9-25(17)18-5-12(6-18)7-18)13-4-14(19(20,21)22)11(3)23-8-13;1-13-6-14(7-21-17(13)20)15-8-24(16(9-25)22-15)19-10-18(11-19,12-19)23-2-4-26-5-3-23;1-3-15(25)16-23-14(9-24(16)17-5-11(6-17)7-17)12-4-13(18(19,20)21)10(2)22-8-12/h2-6,11-13H,7-10,14-18H2,1H3,(H2,27,28);2*8-10,14,18,28H,4-7,11-13H2,1-3H3,(H2,23,24);2*4,8-9,11-12,16,26H,2-3,5-7H2,1H3;4,8-10,12,16,26H,5-7H2,1-3H3;6-8,25H,2-5,9-12H2,1H3,(H2,20,21);4,8-9,11,15,25H,3,5-7H2,1-2H3 |
| InChIKey | TUVRASJSXVHKBI-UHFFFAOYSA-N |
| XLogP | 26.93 |
| TPSA | 550.48 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3039.59 |
| LogP ≤ 5 | 26.93 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 44 |