bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)

C144H180F8N32O8 — CID 162253352

About bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)

bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol) (PubChem CID 162253352) has the molecular formula C144H180F8N32O8 and a molecular weight of 2639.22 g/mol. Its IUPAC name is bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol).

Molecular Properties

• Compound Name: bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
• PubChem CID: 162253352
• Molecular Formula: C144H180F8N32O8
• Molecular Weight: 2639.22 g/mol
• Exact Mass: 2637.45
• IUPAC Name: bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
• SMILES: CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cnc1N.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cc1C(F)(F)F
• InChI: InChI=1S/2C31H38FN7.2C21H25F3N4O2.2C20H27N5O2/c2*1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*1-13-16(21(22,23)24)7-15(8-25-13)17-9-28(18(26-17)14(2)29)20-10-19(11-20,12-20)27-3-5-30-6-4-27;2*1-13-7-15(8-22-17(13)21)16-9-25(18(23-16)14(2)26)20-10-19(11-20,12-20)24-3-5-27-6-4-24/h2*4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*7-9,14,29H,3-6,10-12H2,1-2H3;2*7-9,14,26H,3-6,10-12H2,1-2H3,(H2,21,22)
• InChIKey: ZYGUFFIKBOXXPM-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 415.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2639.22
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)?

The IUPAC name of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol) (CID 162253352) is bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol).

What is the SMILES notation for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)?

The canonical SMILES for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol) is CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.CC(C)c1nc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)cn1C12CC(N3CCN(CCF)CC3)(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cnc1N.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)O)n2)cc1C(F)(F)F.

What is the InChIKey of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)?

The InChIKey is ZYGUFFIKBOXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H38FN7.2C21H25F3N4O2.2C20H27N5O2/c2*1-22(2)29-35-27(18-39(29)31-19-30(20-31,21-31)37-14-12-36(11-8-32)13-15-37)24-16-28-26(34-17-24)7-10-38(28)23(3)25-6-4-5-9-33-25;2*1-13-16(21(22,23)24)7-15(8-25-13)17-9-28(18(26-17)14(2)29)20-10-19(11-20,12-20)27-3-5-30-6-4-27;2*1-13-7-15(8-22-17(13)21)16-9-25(18(23-16)14(2)26)20-10-19(11-20,12-20)24-3-5-27-6-4-24/h2*4-7,9-10,16-18,22-23H,8,11-15,19-21H2,1-3H3;2*7-9,14,29H,3-6,10-12H2,1-2H3;2*7-9,14,26H,3-6,10-12H2,1-2H3,(H2,21,22).

What are the key properties of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)?

bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol) has a molecular weight of 2639.22 g/mol, XLogP of 20.78, 32 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol) is sourced from PubChem (CID 162253352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).