2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

C138H131N39O21S5 — CID 158618879

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
SMILESCc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O
InChIInChI=1S/C21H21N5O3S.C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N7O3.C19H17N5O3S.C18H17N7O3/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h4-7,11-12H,8-10H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,23,27);3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26)
InChIKeyHXSWSRJTGZXNIH-UHFFFAOYSA-N
MW2832.15 g/mol
LogP10.76
Rot. Bonds36

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (PubChem CID 158618879) has the molecular formula C138H131N39O21S5 and a molecular weight of 2832.15 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
PubChem CID158618879
Molecular FormulaC138H131N39O21S5
Molecular Weight2832.15 g/mol
Exact Mass2829.90
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
SMILESCc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O
InChIInChI=1S/C21H21N5O3S.C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N7O3.C19H17N5O3S.C18H17N7O3/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h4-7,11-12H,8-10H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,23,27);3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26)
InChIKeyHXSWSRJTGZXNIH-UHFFFAOYSA-N
XLogP10.76
TPSA682.62 Ų
H-Bond Donors4
H-Bond Acceptors61
Rotatable Bonds36
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002832.15
LogP ≤ 510.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1061

Analyze 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione with MolForge

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Related Compounds

6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157062439
1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 157491500
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
8-[2-(Dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 160278728
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
3-anilino-7-(2,2-dimethylpropyl)-4-imino-5-methyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one;(11R,15S)-5-anilino-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene-7-thione;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;2-[[4-(1,1-difluoroethyl)phenyl]methyl]-7-(2,2-dimethylpropyl)-5-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidine-4,6-dione
CID 160918949
6-[3,5-Dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 161650331
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;4-[6-amino-9-[3-[methyl(prop-2-enoyl)amino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 161734112
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 123398135
CID 157054846
CID 157054846
8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 157097527
1-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 157137454

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (CID 158618879) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is Cc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The InChIKey is HXSWSRJTGZXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S.C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N7O3.C19H17N5O3S.C18H17N7O3/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h4-7,11-12H,8-10H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,23,27);3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione has a molecular weight of 2832.15 g/mol, XLogP of 10.76, 36 rotatable bonds, 4 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is sourced from PubChem (CID 158618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).