C151H182F19N29O4 — CID 158377317
(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 158377317) has the molecular formula C151H182F19N29O4 and a molecular weight of 2828.28 g/mol. Its IUPAC name is (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.
| Compound Name | (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine |
|---|---|
| PubChem CID | 158377317 |
| Molecular Formula | C151H182F19N29O4 |
| Molecular Weight | 2828.28 g/mol |
| Exact Mass | 2826.46 |
| IUPAC Name | (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine |
| SMILES | CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F |
| InChI | InChI=1S/C24H29F3N4O.C23H27F3N4O.C22H27F3N4O.C21H24F4N4.C21H25F3N4.C20H23F3N4.C20H27N5O/c1-14-20(24(25,26)27)9-16(10-28-14)21-13-31(22(29-21)8-15-2-3-15)23-18-11-30(12-19(18)23)17-4-6-32-7-5-17;1-13-19(23(24,25)26)8-15(9-27-13)20-12-30(22(28-20)14-2-3-14)21-17-10-29(11-18(17)21)16-4-6-31-7-5-16;1-13-18(22(23,24)25)8-15(9-26-13)19-12-29(20(27-19)7-14-3-4-14)21-16-10-28(5-6-30-2)11-17(16)21;1-12-17(21(23,24)25)7-14(8-26-12)18-11-29(19(27-18)6-13-2-3-13)20-15-9-28(5-4-22)10-16(15)20;1-3-27-9-15-16(10-27)20(15)28-11-18(26-19(28)6-13-4-5-13)14-7-17(21(22,23)24)12(2)25-8-14;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14/h9-10,13,15,17-19,23H,2-8,11-12H2,1H3;8-9,12,14,16-18,21H,2-7,10-11H2,1H3;8-9,12,14,16-17,21H,3-7,10-11H2,1-2H3;7-8,11,13,15-16,20H,2-6,9-10H2,1H3;7-8,11,13,15-16,20H,3-6,9-10H2,1-2H3;6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22)/t18-,19+,23?;17-,18+,21?;16-,17+,21?;2*15-,16+,20?;14-,15+,18?;15-,16+,18? |
| InChIKey | GVIZTGYWVREJNK-ZLXCBXBNSA-N |
| XLogP | 28.29 |
| TPSA | 300.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2828.28 |
| LogP ≤ 5 | 28.29 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 33 |