(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

C143H179F14N31O4 — CID 159452919

IUPAC(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCCCc1nc(-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(C(C)=O)C[C@@H]12.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC(C)(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H28F4N4.C22H31N5O.C21H27N5O.C20H24F4N4.C20H27N5O.C19H21F3N4O.C19H21F3N4/c1-13-17(22(24,25)26)7-14(9-27-13)18-12-30(19(28-18)8-21(2,3)4)20-15-10-29(6-5-23)11-16(15)20;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;1-12-4-14(6-23-21(12)22)18-9-26(19(24-18)5-13-2-3-13)20-16-7-25(8-17(16)20)15-10-27-11-15;1-3-4-18-26-17(13-7-16(20(22,23)24)12(2)25-8-13)11-28(18)19-14-9-27(6-5-21)10-15(14)19;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14;1-4-17-24-16(12-5-15(19(20,21)22)10(2)23-6-12)9-26(17)18-13-7-25(11(3)27)8-14(13)18;1-10-15(19(20,21)22)5-12(6-24-10)16-9-26(17(25-16)4-11-2-3-11)18-13-7-23-8-14(13)18/h7,9,12,15-16,20H,5-6,8,10-11H2,1-4H3;8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);7-8,11,14-15,19H,3-6,9-10H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22);5-6,9,13-14,18H,4,7-8H2,1-3H3;5-6,9,11,13-14,18,23H,2-4,7-8H2,1H3/t15-,16+,20?;17-,18+,20?;16-,17+,20?;14-,15+,19?;15-,16+,18?;2*13-,14+,18?
InChIKeyLTPKIEWUIZLVRS-DFVNYKLMSA-N
MW2662.19 g/mol
LogP24.32
Rot. Bonds31

About (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 159452919) has the molecular formula C143H179F14N31O4 and a molecular weight of 2662.19 g/mol. Its IUPAC name is (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
PubChem CID159452919
Molecular FormulaC143H179F14N31O4
Molecular Weight2662.19 g/mol
Exact Mass2660.45
IUPAC Name(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCCCc1nc(-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(C(C)=O)C[C@@H]12.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC(C)(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H28F4N4.C22H31N5O.C21H27N5O.C20H24F4N4.C20H27N5O.C19H21F3N4O.C19H21F3N4/c1-13-17(22(24,25)26)7-14(9-27-13)18-12-30(19(28-18)8-21(2,3)4)20-15-10-29(6-5-23)11-16(15)20;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;1-12-4-14(6-23-21(12)22)18-9-26(19(24-18)5-13-2-3-13)20-16-7-25(8-17(16)20)15-10-27-11-15;1-3-4-18-26-17(13-7-16(20(22,23)24)12(2)25-8-13)11-28(18)19-14-9-27(6-5-21)10-15(14)19;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14;1-4-17-24-16(12-5-15(19(20,21)22)10(2)23-6-12)9-26(17)18-13-7-25(11(3)27)8-14(13)18;1-10-15(19(20,21)22)5-12(6-24-10)16-9-26(17(25-16)4-11-2-3-11)18-13-7-23-8-14(13)18/h7,9,12,15-16,20H,5-6,8,10-11H2,1-4H3;8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);7-8,11,14-15,19H,3-6,9-10H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22);5-6,9,13-14,18H,4,7-8H2,1-3H3;5-6,9,11,13-14,18,23H,2-4,7-8H2,1H3/t15-,16+,20?;17-,18+,20?;16-,17+,20?;14-,15+,19?;15-,16+,18?;2*13-,14+,18?
InChIKeyLTPKIEWUIZLVRS-DFVNYKLMSA-N
XLogP24.32
TPSA369.26 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002662.19
LogP ≤ 524.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

2-(3,3-difluoroazetidin-1-yl)-N-[6-[5-[[3-[2-(3,3-difluoroazetidin-1-yl)-6-[[6-[4-[[3-[2-(3,3-difluoroazetidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]methyl]imidazol-1-yl]-4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]-6-[1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 123895331
3-Methoxy-1-[3-[2-[1-[3-[2-[2-[[1-methyl-4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-2-yl]methyl]pyrrolidin-1-yl]-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 123965268
1-[3-[2-[1-[3-[2-(2,3-dimethylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one;ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740160
ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;1-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 144740256
2-[4-(3,6-dihydro-2H-pyran-4-yl)-2,5-dimethylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,6-dihydro-2H-pyran-4-yl)-5-methylimidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 157152889
1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)
CID 157163616
5-[2-Cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopentyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-ethyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine);4-[3-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
CID 157320784
1-[4-(6-Amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 157428003
N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine
CID 157449174
1-[3-[4-(6-Amino-5-methyl-3-pyridinyl)-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazin-2-one;4-[3-[4-(6-amino-5-methyl-3-pyridinyl)-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-1-methylpiperazin-2-one;1-[3-[4-(6-amino-5-methyl-3-pyridinyl)-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol;5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 157563367
9-[[3,5-Difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157615684
1-[4-(6-Amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]cyclopropane-1-carbonitrile;4-[3-[2-cyclopropyl-4-(5,6-dimethyl-3-pyridinyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-3-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
CID 157716164

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (CID 159452919) is (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is CCCc1nc(-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(C(C)=O)C[C@@H]12.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC(C)(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The InChIKey is LTPKIEWUIZLVRS-DFVNYKLMSA-N. The full InChI is InChI=1S/C22H28F4N4.C22H31N5O.C21H27N5O.C20H24F4N4.C20H27N5O.C19H21F3N4O.C19H21F3N4/c1-13-17(22(24,25)26)7-14(9-27-13)18-12-30(19(28-18)8-21(2,3)4)20-15-10-29(6-5-23)11-16(15)20;1-13(2)22-25-19(15-8-14(3)21(23)24-9-15)12-27(22)20-17-10-26(11-18(17)20)16-4-6-28-7-5-16;1-12-4-14(6-23-21(12)22)18-9-26(19(24-18)5-13-2-3-13)20-16-7-25(8-17(16)20)15-10-27-11-15;1-3-4-18-26-17(13-7-16(20(22,23)24)12(2)25-8-13)11-28(18)19-14-9-27(6-5-21)10-15(14)19;1-11(2)20-23-17(13-4-12(3)19(21)22-5-13)8-25(20)18-15-6-24(7-16(15)18)14-9-26-10-14;1-4-17-24-16(12-5-15(19(20,21)22)10(2)23-6-12)9-26(17)18-13-7-25(11(3)27)8-14(13)18;1-10-15(19(20,21)22)5-12(6-24-10)16-9-26(17(25-16)4-11-2-3-11)18-13-7-23-8-14(13)18/h7,9,12,15-16,20H,5-6,8,10-11H2,1-4H3;8-9,12-13,16-18,20H,4-7,10-11H2,1-3H3,(H2,23,24);4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);7-8,11,14-15,19H,3-6,9-10H2,1-2H3;4-5,8,11,14-16,18H,6-7,9-10H2,1-3H3,(H2,21,22);5-6,9,13-14,18H,4,7-8H2,1-3H3;5-6,9,11,13-14,18,23H,2-4,7-8H2,1H3/t15-,16+,20?;17-,18+,20?;16-,17+,20?;14-,15+,19?;15-,16+,18?;2*13-,14+,18?.
What are the key properties of (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine has a molecular weight of 2662.19 g/mol, XLogP of 24.32, 31 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 159452919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).