2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone

C172H168ClN37O10S5 — CID 158476775

IUPAC2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(Cl)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5nccs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C25H24N6O2S.C25H25N5O2.2C25H25N5OS.C24H22ClN5OS.C24H24N6O2.C24H23N5OS/c1-30-6-8-31(9-7-30)23-12-16(4-5-27-23)21(32)13-20-11-19-10-17(2-3-18(19)14-28-20)25-29-15-22(34-25)24(26)33;1-17-27-16-24(32-17)19-3-4-20-15-28-22(12-21(20)11-19)14-23(31)18-5-6-26-25(13-18)30-9-7-29(2)8-10-30;1-17-16-32-25(28-17)19-3-4-20-15-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-17-15-28-25(32-17)19-3-4-20-16-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)24-28-15-22(25)32-24;1-16-27-28-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)14-22(31)17-5-6-25-23(13-17)30-9-7-29(2)8-10-30;1-28-7-9-29(10-8-28)23-5-4-19(16-27-23)22(30)14-21-13-20-12-17(24-25-6-11-31-24)2-3-18(20)15-26-21/h2-5,10-12,14-15H,6-9,13H2,1H3,(H2,26,33);3*3-6,11-13,15-16H,7-10,14H2,1-2H3;2-5,10-12,14-15H,6-9,13H2,1H3;3-6,11-13,15H,7-10,14H2,1-2H3;2-6,11-13,15-16H,7-10,14H2,1H3
InChIKeyHHAOZXZXPPDPPR-UHFFFAOYSA-N
MW3109.27 g/mol
LogP26.96
Rot. Bonds36

About 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone

2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 158476775) has the molecular formula C172H168ClN37O10S5 and a molecular weight of 3109.27 g/mol. Its IUPAC name is 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone
PubChem CID158476775
Molecular FormulaC172H168ClN37O10S5
Molecular Weight3109.27 g/mol
Exact Mass3106.21
IUPAC Name2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(Cl)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5nccs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C25H24N6O2S.C25H25N5O2.2C25H25N5OS.C24H22ClN5OS.C24H24N6O2.C24H23N5OS/c1-30-6-8-31(9-7-30)23-12-16(4-5-27-23)21(32)13-20-11-19-10-17(2-3-18(19)14-28-20)25-29-15-22(34-25)24(26)33;1-17-27-16-24(32-17)19-3-4-20-15-28-22(12-21(20)11-19)14-23(31)18-5-6-26-25(13-18)30-9-7-29(2)8-10-30;1-17-16-32-25(28-17)19-3-4-20-15-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-17-15-28-25(32-17)19-3-4-20-16-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)24-28-15-22(25)32-24;1-16-27-28-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)14-22(31)17-5-6-25-23(13-17)30-9-7-29(2)8-10-30;1-28-7-9-29(10-8-28)23-5-4-19(16-27-23)22(30)14-21-13-20-12-17(24-25-6-11-31-24)2-3-18(20)15-26-21/h2-5,10-12,14-15H,6-9,13H2,1H3,(H2,26,33);3*3-6,11-13,15-16H,7-10,14H2,1-2H3;2-5,10-12,14-15H,6-9,13H2,1H3;3-6,11-13,15H,7-10,14H2,1-2H3;2-6,11-13,15-16H,7-10,14H2,1H3
InChIKeyHHAOZXZXPPDPPR-UHFFFAOYSA-N
XLogP26.96
TPSA517.80 Ų
H-Bond Donors1
H-Bond Acceptors51
Rotatable Bonds36
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003109.27
LogP ≤ 526.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1051

Analyze 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584
4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 157350047
8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 157427039
1-[(1R,5S)-3-(1-fluorobutan-2-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(1R,5S)-3-(1-fluorobutan-2-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluorobutan-2-ylamino)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluorobutan-2-ylamino)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluorobutan-2-ylamino)piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;bis(1-[4-(1-fluorobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone)
CID 157668800
CID 157853447
CID 157853447
2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 157935310
4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide;4-[1-(2-aminoquinolin-4-yl)pyrazol-3-yl]-N'-hydroxybenzenecarboximidamide
CID 158022304
1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 158037741
3-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide;2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;6-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-oxazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenyl-3H-pyrrole-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylthiophene-2-carboxamide
CID 158197427
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;bis(N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide)
CID 159023990
3-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide;2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;6-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-oxazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-3H-pyrrole-4-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylthiophene-2-carboxamide
CID 159334898
5-(1-Hexylpiperidin-4-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(1-pentylpiperidin-4-yl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazole;5-piperidin-4-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-ol;5-[4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pentan-1-ol;2-[4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]piperidin-1-yl]ethanol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 159337868

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone (CID 158476775) is 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(Cl)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5nccs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)o1.
What is the InChIKey of 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone?
The InChIKey is HHAOZXZXPPDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S.C25H25N5O2.2C25H25N5OS.C24H22ClN5OS.C24H24N6O2.C24H23N5OS/c1-30-6-8-31(9-7-30)23-12-16(4-5-27-23)21(32)13-20-11-19-10-17(2-3-18(19)14-28-20)25-29-15-22(34-25)24(26)33;1-17-27-16-24(32-17)19-3-4-20-15-28-22(12-21(20)11-19)14-23(31)18-5-6-26-25(13-18)30-9-7-29(2)8-10-30;1-17-16-32-25(28-17)19-3-4-20-15-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-17-15-28-25(32-17)19-3-4-20-16-27-22(12-21(20)11-19)14-23(31)18-5-6-26-24(13-18)30-9-7-29(2)8-10-30;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)24-28-15-22(25)32-24;1-16-27-28-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)14-22(31)17-5-6-25-23(13-17)30-9-7-29(2)8-10-30;1-28-7-9-29(10-8-28)23-5-4-19(16-27-23)22(30)14-21-13-20-12-17(24-25-6-11-31-24)2-3-18(20)15-26-21/h2-5,10-12,14-15H,6-9,13H2,1H3,(H2,26,33);3*3-6,11-13,15-16H,7-10,14H2,1-2H3;2-5,10-12,14-15H,6-9,13H2,1H3;3-6,11-13,15H,7-10,14H2,1-2H3;2-6,11-13,15-16H,7-10,14H2,1H3.
What are the key properties of 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone?
2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3109.27 g/mol, XLogP of 26.96, 36 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158476775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).