4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)

C154H211F4N33O7 — CID 158119460

IUPAC4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)
SMILESCCC(C)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCc1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cc1CF
InChIInChI=1S/C23H29F3N4O.C23H31FN4O.4C22H31N5O.C20H27N5O/c1-4-15(2)20-28-19(17-9-18(23(24,25)26)16(3)27-10-17)11-30(20)22-12-21(13-22,14-22)29-5-7-31-8-6-29;1-16(2)8-21-26-20(19-9-18(10-24)17(3)25-11-19)12-28(21)23-13-22(14-23,15-23)27-4-6-29-7-5-27;2*1-15(2)8-19-25-18(17-9-16(3)20(23)24-10-17)11-27(19)22-12-21(13-22,14-22)26-4-6-28-7-5-26;2*1-4-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-3-17-23-16(15-8-14(2)18(21)22-9-15)10-25(17)20-11-19(12-20,13-20)24-4-6-26-7-5-24/h9-11,15H,4-8,12-14H2,1-3H3;9,11-12,16H,4-8,10,13-15H2,1-3H3;4*9-11,15H,4-8,12-14H2,1-3H3,(H2,23,24);8-10H,3-7,11-13H2,1-2H3,(H2,21,22)
InChIKeyFRKQONNWNCJJJE-UHFFFAOYSA-N
MW2712.60 g/mol
LogP23.62
Rot. Bonds35

About 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;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-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine) (PubChem CID 158119460) has the molecular formula C154H211F4N33O7 and a molecular weight of 2712.60 g/mol. Its IUPAC name is 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine).

Molecular Properties

Compound Name4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)
PubChem CID158119460
Molecular FormulaC154H211F4N33O7
Molecular Weight2712.60 g/mol
Exact Mass2710.71
IUPAC Name4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)
SMILESCCC(C)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCc1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cc1CF
InChIInChI=1S/C23H29F3N4O.C23H31FN4O.4C22H31N5O.C20H27N5O/c1-4-15(2)20-28-19(17-9-18(23(24,25)26)16(3)27-10-17)11-30(20)22-12-21(13-22,14-22)29-5-7-31-8-6-29;1-16(2)8-21-26-20(19-9-18(10-24)17(3)25-11-19)12-28(21)23-13-22(14-23,15-23)27-4-6-29-7-5-27;2*1-15(2)8-19-25-18(17-9-16(3)20(23)24-10-17)11-27(19)22-12-21(13-22,14-22)26-4-6-28-7-5-26;2*1-4-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-3-17-23-16(15-8-14(2)18(21)22-9-15)10-25(17)20-11-19(12-20,13-20)24-4-6-26-7-5-24/h9-11,15H,4-8,12-14H2,1-3H3;9,11-12,16H,4-8,10,13-15H2,1-3H3;4*9-11,15H,4-8,12-14H2,1-3H3,(H2,23,24);8-10H,3-7,11-13H2,1-2H3,(H2,21,22)
InChIKeyFRKQONNWNCJJJE-UHFFFAOYSA-N
XLogP23.62
TPSA432.36 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.60
LogP ≤ 523.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-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
(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970541
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
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
2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-N-ethyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine;5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-chloropyridin-2-amine;5-[(6R)-4-(2-azabicyclo[2.1.1]hexan-2-yl)-6-methyl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[6,6-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 157420230
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
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
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[2-(6-methyl-3-pyridinyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-7,8-dihydro-6H-purino[9,8-a]pyrrol-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 157587753
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
4-[2-(5,10-Dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(5,10-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(12-fluoro-6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)ethyl]morpholine;methane;4-[2-(6-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;hydrochloride
CID 157641158

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)?
The IUPAC name of 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine) (CID 158119460) is 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine).
What is the SMILES notation for 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)?
The canonical SMILES for 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine) is CCC(C)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCC(C)c1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.CCc1nc(-c2cnc(N)c(C)c2)cn1C12CC(N3CCOCC3)(C1)C2.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cnc1N.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC(C)C)n2)cc1CF.
What is the InChIKey of 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine)?
The InChIKey is FRKQONNWNCJJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O.C23H31FN4O.4C22H31N5O.C20H27N5O/c1-4-15(2)20-28-19(17-9-18(23(24,25)26)16(3)27-10-17)11-30(20)22-12-21(13-22,14-22)29-5-7-31-8-6-29;1-16(2)8-21-26-20(19-9-18(10-24)17(3)25-11-19)12-28(21)23-13-22(14-23,15-23)27-4-6-29-7-5-27;2*1-15(2)8-19-25-18(17-9-16(3)20(23)24-10-17)11-27(19)22-12-21(13-22,14-22)26-4-6-28-7-5-26;2*1-4-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-3-17-23-16(15-8-14(2)18(21)22-9-15)10-25(17)20-11-19(12-20,13-20)24-4-6-26-7-5-24/h9-11,15H,4-8,12-14H2,1-3H3;9,11-12,16H,4-8,10,13-15H2,1-3H3;4*9-11,15H,4-8,12-14H2,1-3H3,(H2,23,24);8-10H,3-7,11-13H2,1-2H3,(H2,21,22).
What are the key properties of 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;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-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine) has a molecular weight of 2712.60 g/mol, XLogP of 23.62, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-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;4-[3-[4-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-2-(2-methylpropyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine) is sourced from PubChem (CID 158119460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).