(1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)

C150H186F24N28O3 — CID 158051648

About (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)

(1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine) (PubChem CID 158051648) has the molecular formula C150H186F24N28O3 and a molecular weight of 2885.28 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine).

Molecular Properties

• Compound Name: (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)
• PubChem CID: 158051648
• Molecular Formula: C150H186F24N28O3
• Molecular Weight: 2885.28 g/mol
• Exact Mass: 2883.49
• IUPAC Name: (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)
• SMILES: CCC(CC)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CCF)C[C@@H]12.CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CC)C[C@@H]12.CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CCF)C[C@@H]12.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC(C)C)n2)cc1C(F)(F)F
• InChI: InChI=1S/3C23H29F3N4O.C22H28F4N4.C21H26F4N4.C19H22F4N4.C19H23F3N4/c3*1-13(2)22-28-20(15-8-19(23(24,25)26)14(3)27-11-15)12-30(22)21-17-9-16(10-18(17)21)29-4-6-31-7-5-29;1-4-14(5-2)21-28-19(15-8-18(22(24,25)26)13(3)27-9-15)12-30(21)20-16-10-29(7-6-23)11-17(16)20;1-12(2)6-19-27-18(14-7-17(21(23,24)25)13(3)26-8-14)11-29(19)20-15-9-28(5-4-22)10-16(15)20;1-3-17-25-16(12-6-15(19(21,22)23)11(2)24-7-12)10-27(17)18-13-8-26(5-4-20)9-14(13)18;1-4-17-24-16(12-6-15(19(20,21)22)11(3)23-7-12)10-26(17)18-13-8-25(5-2)9-14(13)18/h3*8,11-13,16-18,21H,4-7,9-10H2,1-3H3;8-9,12,14,16-17,20H,4-7,10-11H2,1-3H3;7-8,11-12,15-16,20H,4-6,9-10H2,1-3H3;6-7,10,13-14,18H,3-5,8-9H2,1-2H3;6-7,10,13-14,18H,4-5,8-9H2,1-3H3/t3*16?,17-,18+,21?;16-,17+,20?;15-,16+,20?;2*13-,14+,18?
• InChIKey: FJOCGQIXGLNUGC-PDROGUOESA-N
• XLogP: 31.69
• TPSA: 265.34 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2885.28
LogP ≤ 5	31.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)?

The IUPAC name of (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine) (CID 158051648) is (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine).

What is the SMILES notation for (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)?

The canonical SMILES for (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine) is CCC(CC)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CCF)C[C@@H]12.CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CC)C[C@@H]12.CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1[C@H]2CN(CCF)C[C@@H]12.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC(C)C)n2)cc1C(F)(F)F.

What is the InChIKey of (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)?

The InChIKey is FJOCGQIXGLNUGC-PDROGUOESA-N. The full InChI is InChI=1S/3C23H29F3N4O.C22H28F4N4.C21H26F4N4.C19H22F4N4.C19H23F3N4/c3*1-13(2)22-28-20(15-8-19(23(24,25)26)14(3)27-11-15)12-30(22)21-17-9-16(10-18(17)21)29-4-6-31-7-5-29;1-4-14(5-2)21-28-19(15-8-18(22(24,25)26)13(3)27-9-15)12-30(21)20-16-10-29(7-6-23)11-17(16)20;1-12(2)6-19-27-18(14-7-17(21(23,24)25)13(3)26-8-14)11-29(19)20-15-9-28(5-4-22)10-16(15)20;1-3-17-25-16(12-6-15(19(21,22)23)11(2)24-7-12)10-27(17)18-13-8-26(5-4-20)9-14(13)18;1-4-17-24-16(12-6-15(19(20,21)22)11(3)23-7-12)10-26(17)18-13-8-25(5-2)9-14(13)18/h3*8,11-13,16-18,21H,4-7,9-10H2,1-3H3;8-9,12,14,16-17,20H,4-7,10-11H2,1-3H3;7-8,11-12,15-16,20H,4-6,9-10H2,1-3H3;6-7,10,13-14,18H,3-5,8-9H2,1-2H3;6-7,10,13-14,18H,4-5,8-9H2,1-3H3/t3*16?,17-,18+,21?;16-,17+,20?;15-,16+,20?;2*13-,14+,18?.

What are the key properties of (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)?

(1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine) has a molecular weight of 2885.28 g/mol, XLogP of 31.69, 34 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine) is sourced from PubChem (CID 158051648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).