5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane

C146H188F15N29O6 — CID 159577662

About 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane

5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane (PubChem CID 159577662) has the molecular formula C146H188F15N29O6 and a molecular weight of 2730.28 g/mol. Its IUPAC name is 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane.

Molecular Properties

• Compound Name: 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane
• PubChem CID: 159577662
• Molecular Formula: C146H188F15N29O6
• Molecular Weight: 2730.28 g/mol
• Exact Mass: 2728.51
• IUPAC Name: 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane
• SMILES: CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1CC1.Cc1cc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3CC(N4CCCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C3CC3)n2)cc1C(F)(F)F
• InChI: InChI=1S/C24H29F3N4O.C23H31N5O.C22H29F3N4O.2C21H27F3N4O.C20H29N5O.C15H16F3N3/c1-15-20(24(25,26)27)8-17(13-28-15)21-14-31(22(29-21)16-2-3-16)19-11-23(12-19)9-18(10-23)30-4-6-32-7-5-30;1-15-8-17(13-25-21(15)24)20-14-28(22(26-20)16-2-3-16)19-11-23(12-19)9-18(10-23)27-4-6-29-7-5-27;1-14(2)21-27-20(16-9-19(22(23,24)25)15(3)26-12-16)13-29(21)18-10-17(11-18)28-5-4-7-30-8-6-28;2*1-13(2)20-26-19(15-8-18(21(22,23)24)14(3)25-11-15)12-28(20)17-9-16(10-17)27-4-6-29-7-5-27;1-13(2)20-23-18(15-8-14(3)19(21)22-11-15)12-25(20)17-9-16(10-17)24-4-6-26-7-5-24;1-3-14-20-13(8-21(14)11-4-5-11)10-6-12(15(16,17)18)9(2)19-7-10/h8,13-14,16,18-19H,2-7,9-12H2,1H3;8,13-14,16,18-19H,2-7,9-12H2,1H3,(H2,24,25);9,12-14,17-18H,4-8,10-11H2,1-3H3;2*8,11-13,16-17H,4-7,9-10H2,1-3H3;8,11-13,16-17H,4-7,9-10H2,1-3H3,(H2,21,22);6-8,11H,3-5H2,1-2H3
• InChIKey: MIPNHMQGBGXYJO-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 341.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.28
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane?

The IUPAC name of 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane (CID 159577662) is 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane.

What is the SMILES notation for 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane?

The canonical SMILES for 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane is CCc1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1CC1.Cc1cc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3CC(N4CCCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(N4CCOCC4)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(CC(N5CCOCC5)C4)C3)c(C3CC3)n2)cc1C(F)(F)F.

What is the InChIKey of 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane?

The InChIKey is MIPNHMQGBGXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O.C23H31N5O.C22H29F3N4O.2C21H27F3N4O.C20H29N5O.C15H16F3N3/c1-15-20(24(25,26)27)8-17(13-28-15)21-14-31(22(29-21)16-2-3-16)19-11-23(12-19)9-18(10-23)30-4-6-32-7-5-30;1-15-8-17(13-25-21(15)24)20-14-28(22(26-20)16-2-3-16)19-11-23(12-19)9-18(10-23)27-4-6-29-7-5-27;1-14(2)21-27-20(16-9-19(22(23,24)25)15(3)26-12-16)13-29(21)18-10-17(11-18)28-5-4-7-30-8-6-28;2*1-13(2)20-26-19(15-8-18(21(22,23)24)14(3)25-11-15)12-28(20)17-9-16(10-17)27-4-6-29-7-5-27;1-13(2)20-23-18(15-8-14(3)19(21)22-11-15)12-25(20)17-9-16(10-17)24-4-6-26-7-5-24;1-3-14-20-13(8-21(14)11-4-5-11)10-6-12(15(16,17)18)9(2)19-7-10/h8,13-14,16,18-19H,2-7,9-12H2,1H3;8,13-14,16,18-19H,2-7,9-12H2,1H3,(H2,24,25);9,12-14,17-18H,4-8,10-11H2,1-3H3;2*8,11-13,16-17H,4-7,9-10H2,1-3H3;8,11-13,16-17H,4-7,9-10H2,1-3H3,(H2,21,22);6-8,11H,3-5H2,1-2H3.

What are the key properties of 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane?

5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane has a molecular weight of 2730.28 g/mol, XLogP of 29.34, 27 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclopropyl-2-ethylimidazol-4-yl)-2-methyl-3-(trifluoromethyl)pyridine;4-[2-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine;5-[2-cyclopropyl-1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-ylcyclobutyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;bis(4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine);4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]-1,4-oxazepane is sourced from PubChem (CID 159577662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).