5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

C130H146F21N25O5 — CID 159162515

About 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 159162515) has the molecular formula C130H146F21N25O5 and a molecular weight of 2537.73 g/mol. Its IUPAC name is 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
• PubChem CID: 159162515
• Molecular Formula: C130H146F21N25O5
• Molecular Weight: 2537.73 g/mol
• Exact Mass: 2536.16
• IUPAC Name: 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
• SMILES: Cc1cc(-c2cn(C3[C@H]4CNC[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3CC3)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(O)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(O)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC(F)(F)F)n2)cc1C(F)(F)F.Cc1ncc(-c2cn3c(n2)C(C2CC2)OCC3)cc1C(F)(F)F
• InChI: InChI=1S/C22H25F3N4O.C20H20F6N4O.2C19H22F3N3O.C17H18F3N3.C17H23N5.C16H16F3N3O/c1-12-18(22(23,24)25)5-14(6-26-12)19-9-29(21(27-19)13-3-2-4-13)20-16-7-28(8-17(16)20)15-10-30-11-15;1-10-15(20(24,25)26)2-11(4-27-10)16-7-30(17(28-16)3-19(21,22)23)18-13-5-29(6-14(13)18)12-8-31-9-12;2*1-9(2)18-24-16(8-25(18)17-13-5-12(26)6-14(13)17)11-4-15(19(20,21)22)10(3)23-7-11;1-10-14(17(18,19)20)7-12(8-21-10)15-9-23(13-4-5-13)16(22-15)6-11-2-3-11;1-9(2)17-21-14(11-4-10(3)16(18)20-5-11)8-22(17)15-12-6-19-7-13(12)15;1-9-12(16(17,18)19)6-11(7-20-9)13-8-22-4-5-23-14(10-2-3-10)15(22)21-13/h5-6,9,13,15-17,20H,2-4,7-8,10-11H2,1H3;2,4,7,12-14,18H,3,5-6,8-9H2,1H3;2*4,7-9,12-14,17,26H,5-6H2,1-3H3;7-9,11,13H,2-6H2,1H3;4-5,8-9,12-13,15,19H,6-7H2,1-3H3,(H2,18,20);6-8,10,14H,2-5H2,1H3/t16-,17+,20?;13-,14+,18?;2*12?,13-,14+,17?;;12-,13+,15?
• InChIKey: KKRAOARHITUOPE-BXVPCNOZSA-N
• XLogP: 27.26
• TPSA: 327.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2537.73
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?

The IUPAC name of 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (CID 159162515) is 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.

What is the SMILES notation for 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?

The canonical SMILES for 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is Cc1cc(-c2cn(C3[C@H]4CNC[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C3CC3)c(CC3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(O)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CC(O)C[C@@H]34)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CCC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC(F)(F)F)n2)cc1C(F)(F)F.Cc1ncc(-c2cn3c(n2)C(C2CC2)OCC3)cc1C(F)(F)F.

What is the InChIKey of 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?

The InChIKey is KKRAOARHITUOPE-BXVPCNOZSA-N. The full InChI is InChI=1S/C22H25F3N4O.C20H20F6N4O.2C19H22F3N3O.C17H18F3N3.C17H23N5.C16H16F3N3O/c1-12-18(22(23,24)25)5-14(6-26-12)19-9-29(21(27-19)13-3-2-4-13)20-16-7-28(8-17(16)20)15-10-30-11-15;1-10-15(20(24,25)26)2-11(4-27-10)16-7-30(17(28-16)3-19(21,22)23)18-13-5-29(6-14(13)18)12-8-31-9-12;2*1-9(2)18-24-16(8-25(18)17-13-5-12(26)6-14(13)17)11-4-15(19(20,21)22)10(3)23-7-11;1-10-14(17(18,19)20)7-12(8-21-10)15-9-23(13-4-5-13)16(22-15)6-11-2-3-11;1-9(2)17-21-14(11-4-10(3)16(18)20-5-11)8-22(17)15-12-6-19-7-13(12)15;1-9-12(16(17,18)19)6-11(7-20-9)13-8-22-4-5-23-14(10-2-3-10)15(22)21-13/h5-6,9,13,15-17,20H,2-4,7-8,10-11H2,1H3;2,4,7,12-14,18H,3,5-6,8-9H2,1H3;2*4,7-9,12-14,17,26H,5-6H2,1-3H3;7-9,11,13H,2-6H2,1H3;4-5,8-9,12-13,15,19H,6-7H2,1-3H3,(H2,18,20);6-8,10,14H,2-5H2,1H3/t16-,17+,20?;13-,14+,18?;2*12?,13-,14+,17?;;12-,13+,15?;.

What are the key properties of 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?

5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 2537.73 g/mol, XLogP of 27.26, 23 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 159162515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).