bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

C136H164F10N32O3 — CID 159639429

IUPACbis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(=O)N1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O.C20H21F3N4O.C20H27N5O.C19H24FN5.2C19H25N5.C18H19F3N4/c1-11-17(21(22,23)24)4-13(5-25-11)18-8-28(20(26-18)12-2-3-12)19-15-6-27(7-16(15)19)14-9-29-10-14;1-10-16(20(21,22)23)5-13(6-24-10)17-9-27(19(25-17)12-3-4-12)18-14-7-26(11(2)28)8-15(14)18;1-12-7-14(8-22-19(12)21)17-11-25(20(23-17)13-3-4-13)18-15-9-24(5-6-26-2)10-16(15)18;1-11-6-13(7-22-18(11)21)16-10-25(19(23-16)12-2-3-12)17-14-8-24(5-4-20)9-15(14)17;2*1-3-23-8-14-15(9-23)17(14)24-10-16(22-19(24)12-4-5-12)13-6-11(2)18(20)21-7-13;1-9-14(18(19,20)21)4-11(5-23-9)15-8-25(17(24-15)10-2-3-10)16-12-6-22-7-13(12)16/h4-5,8,12,14-16,19H,2-3,6-7,9-10H2,1H3;5-6,9,12,14-15,18H,3-4,7-8H2,1-2H3;7-8,11,13,15-16,18H,3-6,9-10H2,1-2H3,(H2,21,22);6-7,10,12,14-15,17H,2-5,8-9H2,1H3,(H2,21,22);2*6-7,10,12,14-15,17H,3-5,8-9H2,1-2H3,(H2,20,21);4-5,8,10,12-13,16,22H,2-3,6-7H2,1H3/t15-,16+,19?;14-,15+,18?;15-,16+,18?;3*14-,15+,17?;12-,13+,16?
InChIKeyMQDVFCVMNSUQHK-HOVIQABUSA-N
MW2485.01 g/mol
LogP21.91
Rot. Bonds29

About bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 159639429) has the molecular formula C136H164F10N32O3 and a molecular weight of 2485.01 g/mol. Its IUPAC name is bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Namebis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID159639429
Molecular FormulaC136H164F10N32O3
Molecular Weight2485.01 g/mol
Exact Mass2483.35
IUPAC Namebis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(=O)N1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O.C20H21F3N4O.C20H27N5O.C19H24FN5.2C19H25N5.C18H19F3N4/c1-11-17(21(22,23)24)4-13(5-25-11)18-8-28(20(26-18)12-2-3-12)19-15-6-27(7-16(15)19)14-9-29-10-14;1-10-16(20(21,22)23)5-13(6-24-10)17-9-27(19(25-17)12-3-4-12)18-14-7-26(11(2)28)8-15(14)18;1-12-7-14(8-22-19(12)21)17-11-25(20(23-17)13-3-4-13)18-15-9-24(5-6-26-2)10-16(15)18;1-11-6-13(7-22-18(11)21)16-10-25(19(23-16)12-2-3-12)17-14-8-24(5-4-20)9-15(14)17;2*1-3-23-8-14-15(9-23)17(14)24-10-16(22-19(24)12-4-5-12)13-6-11(2)18(20)21-7-13;1-9-14(18(19,20)21)4-11(5-23-9)15-8-25(17(24-15)10-2-3-10)16-12-6-22-7-13(12)16/h4-5,8,12,14-16,19H,2-3,6-7,9-10H2,1H3;5-6,9,12,14-15,18H,3-4,7-8H2,1-2H3;7-8,11,13,15-16,18H,3-6,9-10H2,1-2H3,(H2,21,22);6-7,10,12,14-15,17H,2-5,8-9H2,1H3,(H2,21,22);2*6-7,10,12,14-15,17H,3-5,8-9H2,1-2H3,(H2,20,21);4-5,8,10,12-13,16,22H,2-3,6-7H2,1H3/t15-,16+,19?;14-,15+,18?;15-,16+,18?;3*14-,15+,17?;12-,13+,16?
InChIKeyMQDVFCVMNSUQHK-HOVIQABUSA-N
XLogP21.91
TPSA386.05 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.01
LogP ≤ 521.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
3-Methoxy-1-[3-[6-[(4-methyl-2-pyridinyl)amino]-2-[1-[3-[2-(2-methylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 117685495
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
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
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
(2S)-2-[[4-morpholin-4-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[6-pyrrolidin-1-yl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 157253615
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

Frequently Asked Questions

What is the IUPAC name of bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (CID 159639429) is bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is CC(=O)N1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(C3CC3)n2)cnc1N.Cc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is MQDVFCVMNSUQHK-HOVIQABUSA-N. The full InChI is InChI=1S/C21H23F3N4O.C20H21F3N4O.C20H27N5O.C19H24FN5.2C19H25N5.C18H19F3N4/c1-11-17(21(22,23)24)4-13(5-25-11)18-8-28(20(26-18)12-2-3-12)19-15-6-27(7-16(15)19)14-9-29-10-14;1-10-16(20(21,22)23)5-13(6-24-10)17-9-27(19(25-17)12-3-4-12)18-14-7-26(11(2)28)8-15(14)18;1-12-7-14(8-22-19(12)21)17-11-25(20(23-17)13-3-4-13)18-15-9-24(5-6-26-2)10-16(15)18;1-11-6-13(7-22-18(11)21)16-10-25(19(23-16)12-2-3-12)17-14-8-24(5-4-20)9-15(14)17;2*1-3-23-8-14-15(9-23)17(14)24-10-16(22-19(24)12-4-5-12)13-6-11(2)18(20)21-7-13;1-9-14(18(19,20)21)4-11(5-23-9)15-8-25(17(24-15)10-2-3-10)16-12-6-22-7-13(12)16/h4-5,8,12,14-16,19H,2-3,6-7,9-10H2,1H3;5-6,9,12,14-15,18H,3-4,7-8H2,1-2H3;7-8,11,13,15-16,18H,3-6,9-10H2,1-2H3,(H2,21,22);6-7,10,12,14-15,17H,2-5,8-9H2,1H3,(H2,21,22);2*6-7,10,12,14-15,17H,3-5,8-9H2,1-2H3,(H2,20,21);4-5,8,10,12-13,16,22H,2-3,6-7H2,1H3/t15-,16+,19?;14-,15+,18?;15-,16+,18?;3*14-,15+,17?;12-,13+,16?.
What are the key properties of bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 2485.01 g/mol, XLogP of 21.91, 29 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[2-cyclopropyl-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1R,5S)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 159639429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).