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

C143H181F6N33O4 — CID 158593024

IUPAC1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(=O)N1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3CC3CC3)[C@@H]2C1.CCN1C[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)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cnc1N
InChIInChI=1S/C23H31N5O.C21H25F3N4O.C21H27N5O.C20H23F3N4.C20H25N5O.C20H27N5.C18H23N5/c1-14-8-16(10-25-23(14)24)20-13-28(21(26-20)9-15-2-3-15)22-18-11-27(12-19(18)22)17-4-6-29-7-5-17;1-12-17(21(22,23)24)7-14(8-25-12)18-11-28(20(26-18)13-3-4-13)19-15-9-27(5-6-29-2)10-16(15)19;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;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11-5-14(7-22-20(11)21)17-10-25(18(23-17)6-13-3-4-13)19-15-8-24(12(2)26)9-16(15)19;1-3-24-9-15-16(10-24)19(15)25-11-17(23-18(25)7-13-4-5-13)14-6-12(2)20(21)22-8-14;1-10-4-12(6-21-18(10)19)15-9-23(16(22-15)5-11-2-3-11)17-13-7-20-8-14(13)17/h8,10,13,15,17-19,22H,2-7,9,11-12H2,1H3,(H2,24,25);7-8,11,13,15-16,19H,3-6,9-10H2,1-2H3;4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;5,7,10,13,15-16,19H,3-4,6,8-9H2,1-2H3,(H2,21,22);6,8,11,13,15-16,19H,3-5,7,9-10H2,1-2H3,(H2,21,22);4,6,9,11,13-14,17,20H,2-3,5,7-8H2,1H3,(H2,19,21)/t18-,19+,22?;15-,16+,19?;16-,17+,20?;14-,15+,18?;2*15-,16+,19?;13-,14+,17?
InChIKeyHURHUKPTYYXATE-TXXJGVGQSA-N
MW2540.24 g/mol
LogP21.06
Rot. Bonds33

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

1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 158593024) has the molecular formula C143H181F6N33O4 and a molecular weight of 2540.24 g/mol. Its IUPAC name is 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID158593024
Molecular FormulaC143H181F6N33O4
Molecular Weight2540.24 g/mol
Exact Mass2538.49
IUPAC Name1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(=O)N1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3CC3CC3)[C@@H]2C1.CCN1C[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)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cnc1N
InChIInChI=1S/C23H31N5O.C21H25F3N4O.C21H27N5O.C20H23F3N4.C20H25N5O.C20H27N5.C18H23N5/c1-14-8-16(10-25-23(14)24)20-13-28(21(26-20)9-15-2-3-15)22-18-11-27(12-19(18)22)17-4-6-29-7-5-17;1-12-17(21(22,23)24)7-14(8-25-12)18-11-28(20(26-18)13-3-4-13)19-15-9-27(5-6-29-2)10-16(15)19;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;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11-5-14(7-22-20(11)21)17-10-25(18(23-17)6-13-3-4-13)19-15-8-24(12(2)26)9-16(15)19;1-3-24-9-15-16(10-24)19(15)25-11-17(23-18(25)7-13-4-5-13)14-6-12(2)20(21)22-8-14;1-10-4-12(6-21-18(10)19)15-9-23(16(22-15)5-11-2-3-11)17-13-7-20-8-14(13)17/h8,10,13,15,17-19,22H,2-7,9,11-12H2,1H3,(H2,24,25);7-8,11,13,15-16,19H,3-6,9-10H2,1-2H3;4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;5,7,10,13,15-16,19H,3-4,6,8-9H2,1-2H3,(H2,21,22);6,8,11,13,15-16,19H,3-5,7,9-10H2,1-2H3,(H2,21,22);4,6,9,11,13-14,17,20H,2-3,5,7-8H2,1H3,(H2,19,21)/t18-,19+,22?;15-,16+,19?;16-,17+,20?;14-,15+,18?;2*15-,16+,19?;13-,14+,17?
InChIKeyHURHUKPTYYXATE-TXXJGVGQSA-N
XLogP21.06
TPSA421.30 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002540.24
LogP ≤ 521.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane 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
1-[3-[2-(2,5-dimethylpyrazol-3-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone;ethane;6-[1-(oxetan-3-yl)piperidin-4-yl]-2-(oxolan-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740217
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane (CID 158593024) is 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane is CC(=O)N1C[C@@H]2C(n3cc(-c4cnc(N)c(C)c4)nc3CC3CC3)[C@@H]2C1.CCN1C[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)nc3CC3CC3)[C@@H]2C1.COCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C3CC3)[C@@H]2C1.Cc1cc(-c2cn(C3[C@H]4CN(C5CCOCC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cnc1N.
What is the InChIKey of 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is HURHUKPTYYXATE-TXXJGVGQSA-N. The full InChI is InChI=1S/C23H31N5O.C21H25F3N4O.C21H27N5O.C20H23F3N4.C20H25N5O.C20H27N5.C18H23N5/c1-14-8-16(10-25-23(14)24)20-13-28(21(26-20)9-15-2-3-15)22-18-11-27(12-19(18)22)17-4-6-29-7-5-17;1-12-17(21(22,23)24)7-14(8-25-12)18-11-28(20(26-18)13-3-4-13)19-15-9-27(5-6-29-2)10-16(15)19;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;1-3-26-8-14-15(9-26)18(14)27-10-17(25-19(27)12-4-5-12)13-6-16(20(21,22)23)11(2)24-7-13;1-11-5-14(7-22-20(11)21)17-10-25(18(23-17)6-13-3-4-13)19-15-8-24(12(2)26)9-16(15)19;1-3-24-9-15-16(10-24)19(15)25-11-17(23-18(25)7-13-4-5-13)14-6-12(2)20(21)22-8-14;1-10-4-12(6-21-18(10)19)15-9-23(16(22-15)5-11-2-3-11)17-13-7-20-8-14(13)17/h8,10,13,15,17-19,22H,2-7,9,11-12H2,1H3,(H2,24,25);7-8,11,13,15-16,19H,3-6,9-10H2,1-2H3;4,6,9,13,15-17,20H,2-3,5,7-8,10-11H2,1H3,(H2,22,23);6-7,10,12,14-15,18H,3-5,8-9H2,1-2H3;5,7,10,13,15-16,19H,3-4,6,8-9H2,1-2H3,(H2,21,22);6,8,11,13,15-16,19H,3-5,7,9-10H2,1-2H3,(H2,21,22);4,6,9,11,13-14,17,20H,2-3,5,7-8H2,1H3,(H2,19,21)/t18-,19+,22?;15-,16+,19?;16-,17+,20?;14-,15+,18?;2*15-,16+,19?;13-,14+,17?.
What are the key properties of 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane?
1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 2540.24 g/mol, XLogP of 21.06, 33 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158593024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).