1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one

C178H207F3N32O12 — CID 157470514

IUPAC1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one
SMILESCCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CN(C)N1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)cc(F)c3cn2)CC1.Cc1nc(-c2ccc3cnc(CC(=O)C4CCN(N5CCN(C)CC5)CC4)cc3c2)co1.Cc1ncc(-c2cc(F)c3cnc(CC(=O)C4CCC(N(C)C)CC4)cc3c2)o1.Cc1ncc(-c2cc3cc(CC(=O)C4CCC(N(C)C)CC4)ncc3cc2F)o1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)n1C.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCCCC4)cc3c2)n1C.Cn1cnnc1-c1ccc2cnc(CC(=O)CN3CCCCC3)cc2c1
InChIInChI=1S/C25H31N5O2.2C23H26FN3O2.C23H26N2O2.C22H25N3O.C21H25FN6O.C21H25N5O.C20H23N5O/c1-18-27-24(17-32-18)20-3-4-21-16-26-23(14-22(21)13-20)15-25(31)19-5-7-29(8-6-19)30-11-9-28(2)10-12-30;1-14-25-13-23(29-14)20-9-16-8-18(26-12-17(16)10-21(20)24)11-22(28)15-4-6-19(7-5-15)27(2)3;1-14-25-13-23(29-14)17-8-16-9-18(26-12-20(16)21(24)10-17)11-22(28)15-4-6-19(7-5-15)27(2)3;1-3-16-4-6-17(7-5-16)22(26)12-21-11-20-10-18(8-9-19(20)13-25-21)23-14-24-15(2)27-23;1-15-23-14-21(25(15)2)17-8-9-18-13-24-20(11-19(18)10-17)12-22(26)16-6-4-3-5-7-16;1-26(2)28-6-4-14(5-7-28)21(29)11-17-9-15-8-16(20-13-27(3)25-24-20)10-19(22)18(15)12-23-17;1-15-23-24-21(25(15)2)16-6-7-17-13-22-19(11-18(17)10-16)12-20(27)14-26-8-4-3-5-9-26;1-24-14-22-23-20(24)15-5-6-16-12-21-18(10-17(16)9-15)11-19(26)13-25-7-3-2-4-8-25/h3-4,13-14,16-17,19H,5-12,15H2,1-2H3;2*8-10,12-13,15,19H,4-7,11H2,1-3H3;8-11,13-14,16-17H,3-7,12H2,1-2H3;8-11,13-14,16H,3-7,12H2,1-2H3;8-10,12-14H,4-7,11H2,1-3H3;6-7,10-11,13H,3-5,8-9,12,14H2,1-2H3;5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3
InChIKeyBUZALDBSULVZGT-UHFFFAOYSA-N
MW3043.82 g/mol
LogP30.52
Rot. Bonds39

About 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one

1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one (PubChem CID 157470514) has the molecular formula C178H207F3N32O12 and a molecular weight of 3043.82 g/mol. Its IUPAC name is 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one
PubChem CID157470514
Molecular FormulaC178H207F3N32O12
Molecular Weight3043.82 g/mol
Exact Mass3041.65
IUPAC Name1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one
SMILESCCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CN(C)N1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)cc(F)c3cn2)CC1.Cc1nc(-c2ccc3cnc(CC(=O)C4CCN(N5CCN(C)CC5)CC4)cc3c2)co1.Cc1ncc(-c2cc(F)c3cnc(CC(=O)C4CCC(N(C)C)CC4)cc3c2)o1.Cc1ncc(-c2cc3cc(CC(=O)C4CCC(N(C)C)CC4)ncc3cc2F)o1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)n1C.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCCCC4)cc3c2)n1C.Cn1cnnc1-c1ccc2cnc(CC(=O)CN3CCCCC3)cc2c1
InChIInChI=1S/C25H31N5O2.2C23H26FN3O2.C23H26N2O2.C22H25N3O.C21H25FN6O.C21H25N5O.C20H23N5O/c1-18-27-24(17-32-18)20-3-4-21-16-26-23(14-22(21)13-20)15-25(31)19-5-7-29(8-6-19)30-11-9-28(2)10-12-30;1-14-25-13-23(29-14)20-9-16-8-18(26-12-17(16)10-21(20)24)11-22(28)15-4-6-19(7-5-15)27(2)3;1-14-25-13-23(29-14)17-8-16-9-18(26-12-20(16)21(24)10-17)11-22(28)15-4-6-19(7-5-15)27(2)3;1-3-16-4-6-17(7-5-16)22(26)12-21-11-20-10-18(8-9-19(20)13-25-21)23-14-24-15(2)27-23;1-15-23-14-21(25(15)2)17-8-9-18-13-24-20(11-19(18)10-17)12-22(26)16-6-4-3-5-7-16;1-26(2)28-6-4-14(5-7-28)21(29)11-17-9-15-8-16(20-13-27(3)25-24-20)10-19(22)18(15)12-23-17;1-15-23-24-21(25(15)2)16-6-7-17-13-22-19(11-18(17)10-16)12-20(27)14-26-8-4-3-5-9-26;1-24-14-22-23-20(24)15-5-6-16-12-21-18(10-17(16)9-15)11-19(26)13-25-7-3-2-4-8-25/h3-4,13-14,16-17,19H,5-12,15H2,1-2H3;2*8-10,12-13,15,19H,4-7,11H2,1-3H3;8-11,13-14,16-17H,3-7,12H2,1-2H3;8-11,13-14,16H,3-7,12H2,1-2H3;8-10,12-14H,4-7,11H2,1-3H3;6-7,10-11,13H,3-5,8-9,12,14H2,1-2H3;5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3
InChIKeyBUZALDBSULVZGT-UHFFFAOYSA-N
XLogP30.52
TPSA482.91 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.82
LogP ≤ 530.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one with MolForge

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Related Compounds

2-[4-[1-[6-[7-[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-[4-(triazol-2-yl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]phenyl]-5-methyl-1,3-oxazole
CID 153629252
2-(2,4-dioxocyclohexyl)-4-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(2-methyl-2-phenylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157260600
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methylphenyl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157614925
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157638254
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157752910
[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-fluoro-3-(2-fluoropropan-2-yl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157999380
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158342124
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158487104
2-(2,4-dioxocyclohexyl)-4-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 158785914
CID 158792617
CID 158792617

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one (CID 157470514) is 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one is CCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.CN(C)N1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)cc(F)c3cn2)CC1.Cc1nc(-c2ccc3cnc(CC(=O)C4CCN(N5CCN(C)CC5)CC4)cc3c2)co1.Cc1ncc(-c2cc(F)c3cnc(CC(=O)C4CCC(N(C)C)CC4)cc3c2)o1.Cc1ncc(-c2cc3cc(CC(=O)C4CCC(N(C)C)CC4)ncc3cc2F)o1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)n1C.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCCCC4)cc3c2)n1C.Cn1cnnc1-c1ccc2cnc(CC(=O)CN3CCCCC3)cc2c1.
What is the InChIKey of 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one?
The InChIKey is BUZALDBSULVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2.2C23H26FN3O2.C23H26N2O2.C22H25N3O.C21H25FN6O.C21H25N5O.C20H23N5O/c1-18-27-24(17-32-18)20-3-4-21-16-26-23(14-22(21)13-20)15-25(31)19-5-7-29(8-6-19)30-11-9-28(2)10-12-30;1-14-25-13-23(29-14)20-9-16-8-18(26-12-17(16)10-21(20)24)11-22(28)15-4-6-19(7-5-15)27(2)3;1-14-25-13-23(29-14)17-8-16-9-18(26-12-20(16)21(24)10-17)11-22(28)15-4-6-19(7-5-15)27(2)3;1-3-16-4-6-17(7-5-16)22(26)12-21-11-20-10-18(8-9-19(20)13-25-21)23-14-24-15(2)27-23;1-15-23-14-21(25(15)2)17-8-9-18-13-24-20(11-19(18)10-17)12-22(26)16-6-4-3-5-7-16;1-26(2)28-6-4-14(5-7-28)21(29)11-17-9-15-8-16(20-13-27(3)25-24-20)10-19(22)18(15)12-23-17;1-15-23-24-21(25(15)2)16-6-7-17-13-22-19(11-18(17)10-16)12-20(27)14-26-8-4-3-5-9-26;1-24-14-22-23-20(24)15-5-6-16-12-21-18(10-17(16)9-15)11-19(26)13-25-7-3-2-4-8-25/h3-4,13-14,16-17,19H,5-12,15H2,1-2H3;2*8-10,12-13,15,19H,4-7,11H2,1-3H3;8-11,13-14,16-17H,3-7,12H2,1-2H3;8-11,13-14,16H,3-7,12H2,1-2H3;8-10,12-14H,4-7,11H2,1-3H3;6-7,10-11,13H,3-5,8-9,12,14H2,1-2H3;5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3.
What are the key properties of 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one?
1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one has a molecular weight of 3043.82 g/mol, XLogP of 30.52, 39 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[1-(dimethylamino)piperidin-4-yl]-2-[8-fluoro-6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4,5-dimethyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-4-yl)isoquinolin-3-yl]-1-[1-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone;1-[6-(4-methyl-1,2,4-triazol-3-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 157470514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).