N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)

C218H266F16N24O14S4 — CID 159781014

IUPACN-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)
SMILESCC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(CC(=O)CNC(=O)C2[C@H]3CN(C4CCC(c5ccsc5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cccs5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cncnc5)CC4)C[C@@H]23)c1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1ccnc1C1CCC(N2C[C@@H]3C(C(=O)CCC(=O)Nc4cccc(C(C)(F)F)c4)[C@@H]3C2)CC1
InChIInChI=1S/2C28H34F2N2OS.3C27H34F2N4O2.C27H32F2N4O2.2C27H32F2N2O2S/c2*1-28(29,30)22-4-2-3-19(13-22)20-9-11-31(14-20)27(33)26-24-15-32(16-25(24)26)23-7-5-18(6-8-23)21-10-12-34-17-21;2*1-27(28,29)19-4-3-5-20(12-19)31-25(35)11-10-24(34)26-22-15-33(16-23(22)26)21-8-6-17(7-9-21)18-13-30-32(2)14-18;1-27(28,29)18-4-3-5-19(14-18)31-24(35)11-10-23(34)25-21-15-33(16-22(21)25)20-8-6-17(7-9-20)26-30-12-13-32(26)2;1-27(28,29)19-3-2-4-20(11-19)32-25(35)10-9-24(34)26-22-14-33(15-23(22)26)21-7-5-17(6-8-21)18-12-30-16-31-13-18;1-27(28,29)18-4-2-5-19(14-18)30-25(33)12-11-23(32)26-21-15-31(16-22(21)26)20-9-7-17(8-10-20)24-6-3-13-34-24;1-27(28,29)20-4-2-3-17(11-20)12-22(32)13-30-26(33)25-23-14-31(15-24(23)25)21-7-5-18(6-8-21)19-9-10-34-16-19/h2*2-4,10,12-13,17-18,20,23-26H,5-9,11,14-16H2,1H3;2*3-5,12-14,17,21-23,26H,6-11,15-16H2,1-2H3,(H,31,35);3-5,12-14,17,20-22,25H,6-11,15-16H2,1-2H3,(H,31,35);2-4,11-13,16-17,21-23,26H,5-10,14-15H2,1H3,(H,32,35);2-6,13-14,17,20-22,26H,7-12,15-16H2,1H3,(H,30,33);2-4,9-11,16,18,21,23-25H,5-8,12-15H2,1H3,(H,30,33)/t2*18?,20?,23?,24-,25+,26?;2*17?,21?,22-,23+,26?;17?,20?,21-,22+,25?;17?,21?,22-,23+,26?;17?,20?,21-,22+,26?;18?,21?,23-,24+,25?
InChIKeyNHJARDYUCASSCM-NEGGBMLASA-N
MW3878.92 g/mol
LogP42.16
Rot. Bonds58

About N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)

N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) (PubChem CID 159781014) has the molecular formula C218H266F16N24O14S4 and a molecular weight of 3878.92 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone).

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)
PubChem CID159781014
Molecular FormulaC218H266F16N24O14S4
Molecular Weight3878.92 g/mol
Exact Mass3875.95
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)
SMILESCC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(CC(=O)CNC(=O)C2[C@H]3CN(C4CCC(c5ccsc5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cccs5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cncnc5)CC4)C[C@@H]23)c1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1ccnc1C1CCC(N2C[C@@H]3C(C(=O)CCC(=O)Nc4cccc(C(C)(F)F)c4)[C@@H]3C2)CC1
InChIInChI=1S/2C28H34F2N2OS.3C27H34F2N4O2.C27H32F2N4O2.2C27H32F2N2O2S/c2*1-28(29,30)22-4-2-3-19(13-22)20-9-11-31(14-20)27(33)26-24-15-32(16-25(24)26)23-7-5-18(6-8-23)21-10-12-34-17-21;2*1-27(28,29)19-4-3-5-20(12-19)31-25(35)11-10-24(34)26-22-15-33(16-23(22)26)21-8-6-17(7-9-21)18-13-30-32(2)14-18;1-27(28,29)18-4-3-5-19(14-18)31-24(35)11-10-23(34)25-21-15-33(16-22(21)25)20-8-6-17(7-9-20)26-30-12-13-32(26)2;1-27(28,29)19-3-2-4-20(11-19)32-25(35)10-9-24(34)26-22-14-33(15-23(22)26)21-7-5-17(6-8-21)18-12-30-16-31-13-18;1-27(28,29)18-4-2-5-19(14-18)30-25(33)12-11-23(32)26-21-15-31(16-22(21)26)20-9-7-17(8-10-20)24-6-3-13-34-24;1-27(28,29)20-4-2-3-17(11-20)12-22(32)13-30-26(33)25-23-14-31(15-24(23)25)21-7-5-18(6-8-21)19-9-10-34-16-19/h2*2-4,10,12-13,17-18,20,23-26H,5-9,11,14-16H2,1H3;2*3-5,12-14,17,21-23,26H,6-11,15-16H2,1-2H3,(H,31,35);3-5,12-14,17,20-22,25H,6-11,15-16H2,1-2H3,(H,31,35);2-4,11-13,16-17,21-23,26H,5-10,14-15H2,1H3,(H,32,35);2-6,13-14,17,20-22,26H,7-12,15-16H2,1H3,(H,30,33);2-4,9-11,16,18,21,23-25H,5-8,12-15H2,1H3,(H,30,33)/t2*18?,20?,23?,24-,25+,26?;2*17?,21?,22-,23+,26?;17?,20?,21-,22+,25?;17?,21?,22-,23+,26?;17?,20?,21-,22+,26?;18?,21?,23-,24+,25?
InChIKeyNHJARDYUCASSCM-NEGGBMLASA-N
XLogP42.16
TPSA422.80 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds58
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003878.92
LogP ≤ 542.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) with MolForge

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Related Compounds

2-[2,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-3-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]acetamide
CID 157428486
3-[2-(azetidin-1-yl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[3-(difluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157469212
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 160181848
5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 160557562
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide
CID 160932242
3-[2-(azetidin-1-yl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]propan-1-one
CID 161827840
(2S,4R)-N-[[4-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)pyrazol-1-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2R,3S)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 163905215
1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 158989734
CID 159705563
CID 159705563

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) (CID 159781014) is N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone).
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) is CC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(C2CCN(C(=O)C3[C@H]4CN(C5CCC(c6ccsc6)CC5)C[C@@H]34)C2)c1.CC(F)(F)c1cccc(CC(=O)CNC(=O)C2[C@H]3CN(C4CCC(c5ccsc5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cccs5)CC4)C[C@@H]23)c1.CC(F)(F)c1cccc(NC(=O)CCC(=O)C2[C@H]3CN(C4CCC(c5cncnc5)CC4)C[C@@H]23)c1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1cc(C2CCC(N3C[C@@H]4C(C(=O)CCC(=O)Nc5cccc(C(C)(F)F)c5)[C@@H]4C3)CC2)cn1.Cn1ccnc1C1CCC(N2C[C@@H]3C(C(=O)CCC(=O)Nc4cccc(C(C)(F)F)c4)[C@@H]3C2)CC1.
What is the InChIKey of N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)?
The InChIKey is NHJARDYUCASSCM-NEGGBMLASA-N. The full InChI is InChI=1S/2C28H34F2N2OS.3C27H34F2N4O2.C27H32F2N4O2.2C27H32F2N2O2S/c2*1-28(29,30)22-4-2-3-19(13-22)20-9-11-31(14-20)27(33)26-24-15-32(16-25(24)26)23-7-5-18(6-8-23)21-10-12-34-17-21;2*1-27(28,29)19-4-3-5-20(12-19)31-25(35)11-10-24(34)26-22-15-33(16-23(22)26)21-8-6-17(7-9-21)18-13-30-32(2)14-18;1-27(28,29)18-4-3-5-19(14-18)31-24(35)11-10-23(34)25-21-15-33(16-22(21)25)20-8-6-17(7-9-20)26-30-12-13-32(26)2;1-27(28,29)19-3-2-4-20(11-19)32-25(35)10-9-24(34)26-22-14-33(15-23(22)26)21-7-5-17(6-8-21)18-12-30-16-31-13-18;1-27(28,29)18-4-2-5-19(14-18)30-25(33)12-11-23(32)26-21-15-31(16-22(21)26)20-9-7-17(8-10-20)24-6-3-13-34-24;1-27(28,29)20-4-2-3-17(11-20)12-22(32)13-30-26(33)25-23-14-31(15-24(23)25)21-7-5-18(6-8-21)19-9-10-34-16-19/h2*2-4,10,12-13,17-18,20,23-26H,5-9,11,14-16H2,1H3;2*3-5,12-14,17,21-23,26H,6-11,15-16H2,1-2H3,(H,31,35);3-5,12-14,17,20-22,25H,6-11,15-16H2,1-2H3,(H,31,35);2-4,11-13,16-17,21-23,26H,5-10,14-15H2,1H3,(H,32,35);2-6,13-14,17,20-22,26H,7-12,15-16H2,1H3,(H,30,33);2-4,9-11,16,18,21,23-25H,5-8,12-15H2,1H3,(H,30,33)/t2*18?,20?,23?,24-,25+,26?;2*17?,21?,22-,23+,26?;17?,20?,21-,22+,25?;17?,21?,22-,23+,26?;17?,20?,21-,22+,26?;18?,21?,23-,24+,25?.
What are the key properties of N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone)?
N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) has a molecular weight of 3878.92 g/mol, XLogP of 42.16, 58 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylimidazol-2-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide;bis(N-[3-(1,1-difluoroethyl)phenyl]-4-[(1R,5S)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-oxobutanamide);(1S,5R)-N-[3-[3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-pyrimidin-5-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;N-[3-(1,1-difluoroethyl)phenyl]-4-oxo-4-[(1S,5R)-3-(4-thiophen-2-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butanamide;bis([3-[3-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-thiophen-3-ylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone) is sourced from PubChem (CID 159781014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).