About bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine
bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine (PubChem CID 158617093) has the molecular formula C152H198F21N29O
and a molecular weight of 2846.42 g/mol. Its IUPAC name is bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine.
Frequently Asked Questions
What is the IUPAC name of bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine?
The IUPAC name of bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine (CID 158617093) is bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine.
What is the SMILES notation for bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine?
The canonical SMILES for bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine is C.Cc1ncc(-c2cn(C(C)C)c(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCN(C)CC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCN(C)CC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCN(CCF)CC5)C[C@@H]34)c(CC(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCN(CCF)CC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCN(CCF)CC5)C[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine?
The InChIKey is HXNIABTVBTYJIS-LORKQTBTSA-N. The full InChI is InChI=1S/2C26H33F4N5.C26H35F4N5.2C25H32F3N5.C23H29F3N4O.CH4/c2*1-16-22(26(28,29)30)11-18(14-31-16)23-15-35(24(32-23)10-17-2-3-17)25-20-12-19(13-21(20)25)34-8-6-33(5-4-27)7-9-34;1-16(2)10-24-32-23(18-11-22(26(28,29)30)17(3)31-14-18)15-35(24)25-20-12-19(13-21(20)25)34-8-6-33(5-4-27)7-9-34;2*1-15-21(25(26,27)28)10-17(13-29-15)22-14-33(23(30-22)9-16-3-4-16)24-19-11-18(12-20(19)24)32-7-5-31(2)6-8-32;1-13(2)30-12-20(15-8-19(23(24,25)26)14(3)27-11-15)28-22(30)21-17-9-16(10-18(17)21)29-4-6-31-7-5-29;/h2*11,14-15,17,19-21,25H,2-10,12-13H2,1H3;11,14-16,19-21,25H,4-10,12-13H2,1-3H3;2*10,13-14,16,18-20,24H,3-9,11-12H2,1-2H3;8,11-13,16-18,21H,4-7,9-10H2,1-3H3;1H4/t3*19?,20-,21+,25?;2*18?,19-,20+,24?;16?,17-,18+,21?;.
What are the key properties of bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine?
bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine has a molecular weight of 2846.42 g/mol, XLogP of 28.69, 35 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-(2-fluoroethyl)piperazine);bis(1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]-4-methylpiperazine);1-(2-fluoroethyl)-4-[(1R,5S)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]piperazine;methane;4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylimidazol-2-yl]-3-bicyclo[3.1.0]hexanyl]morpholine is sourced from PubChem (CID 158617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).