bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)

C132H176F6N30O10 — CID 161478082

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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 161478082) has the molecular formula C132H176F6N30O10 and a molecular weight of 2457.05 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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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: 161478082
• Molecular Formula: C132H176F6N30O10
• Molecular Weight: 2457.05 g/mol
• Exact Mass: 2455.41
• 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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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: C#CCN1CCN(C23CC(n4cc(-c5cnc(N)c(C)c5)nc4C(O)C(C)C)(C2)C3)CC1.CCCN1CCN(C23CC(n4cc(-c5cnc(N)c(C)c5)nc4C(O)C(C)C)(C2)C3)CC1.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/C25H38N6O.C25H34N6O.2C21H25F3N4O2.2C20H27N5O2/c2*1-5-6-29-7-9-30(10-8-29)24-14-25(15-24,16-24)31-13-20(28-23(31)21(32)17(2)3)19-11-18(4)22(26)27-12-19;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/h11-13,17,21,32H,5-10,14-16H2,1-4H3,(H2,26,27);1,11-13,17,21,32H,6-10,14-16H2,2-4H3,(H2,26,27);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: WDZDMASKDFMXGD-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 472.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.05
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 161478082) 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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 C#CCN1CCN(C23CC(n4cc(-c5cnc(N)c(C)c5)nc4C(O)C(C)C)(C2)C3)CC1.CCCN1CCN(C23CC(n4cc(-c5cnc(N)c(C)c5)nc4C(O)C(C)C)(C2)C3)CC1.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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 WDZDMASKDFMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O.C25H34N6O.2C21H25F3N4O2.2C20H27N5O2/c2*1-5-6-29-7-9-30(10-8-29)24-14-25(15-24,16-24)31-13-20(28-23(31)21(32)17(2)3)19-11-18(4)22(26)27-12-19;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/h11-13,17,21,32H,5-10,14-16H2,1-4H3,(H2,26,27);1,11-13,17,21,32H,6-10,14-16H2,2-4H3,(H2,26,27);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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 2457.05 g/mol, XLogP of 15.88, 29 rotatable bonds, 10 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);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;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 161478082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).