N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide

C167H183ClF2N56O27S — CID 158208174

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cn2)n(C)c1=O
InChIInChI=1S/C25H25ClN8O4.2C25H25FN8O4.C25H28N8O3.C24H32N8O4.C23H24N8O4S.C20H24N8O4/c2*1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-8-7-18(13-27-19)32-9-11-33(12-10-32)23(36)16-3-5-17(26)6-4-16;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-7-6-18(13-27-19)32-8-10-33(11-9-32)23(36)16-4-3-5-17(26)12-16;1-29-23-22(24(35)30(2)25(29)36)33(17-27-23)16-21(34)28-20-9-8-19(14-26-20)32-12-10-31(11-13-32)15-18-6-4-3-5-7-18;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-27-20-19(22(34)28(2)23(27)35)31(14-25-20)13-18(32)26-17-6-5-15(12-24-17)29-7-9-30(10-8-29)21(33)16-4-3-11-36-16;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2/h2*3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,29,35);3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,32);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30)
InChIKeyGBTBSDRTQBRSJH-UHFFFAOYSA-N
MW3512.18 g/mol
LogP3.19
Rot. Bonds35

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 158208174) has the molecular formula C167H183ClF2N56O27S and a molecular weight of 3512.18 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
PubChem CID158208174
Molecular FormulaC167H183ClF2N56O27S
Molecular Weight3512.18 g/mol
Exact Mass3509.40
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cn2)n(C)c1=O
InChIInChI=1S/C25H25ClN8O4.2C25H25FN8O4.C25H28N8O3.C24H32N8O4.C23H24N8O4S.C20H24N8O4/c2*1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-8-7-18(13-27-19)32-9-11-33(12-10-32)23(36)16-3-5-17(26)6-4-16;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-7-6-18(13-27-19)32-8-10-33(11-9-32)23(36)16-4-3-5-17(26)12-16;1-29-23-22(24(35)30(2)25(29)36)33(17-27-23)16-21(34)28-20-9-8-19(14-26-20)32-12-10-31(11-13-32)15-18-6-4-3-5-7-18;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-27-20-19(22(34)28(2)23(27)35)31(14-25-20)13-18(32)26-17-6-5-15(12-24-17)29-7-9-30(10-8-29)21(33)16-4-3-11-36-16;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2/h2*3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,29,35);3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,32);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30)
InChIKeyGBTBSDRTQBRSJH-UHFFFAOYSA-N
XLogP3.19
TPSA874.45 Ų
H-Bond Donors7
H-Bond Acceptors71
Rotatable Bonds35
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003512.18
LogP ≤ 53.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1071

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

2-[1-[[4-[4-[6-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-3-pyridinyl]piperazine-1-carbonyl]-2-fluorophenyl]methyl]-3-methyl-2,6-dioxopurin-7-yl]-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 135163420
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[3-fluoro-4-[[3-methyl-2,6-dioxo-7-[2-oxo-2-[[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]ethyl]purin-1-yl]methyl]benzoyl]piperazin-1-yl]-2-pyridinyl]acetamide
CID 142385461
N-benzyl-2-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide;N-benzyl-3-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-2,5-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 157221792
4-[[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-N,N-diethyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;4-[[2-(4-chlorophenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 157343543
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-2-pyridinyl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]acetamide;N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;(2S)-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide
CID 157420675
2-[1-[[6-(2-acetamidoethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-piperidin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-pyrrol-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 157678747
4-[[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-N,N-diethyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;4-[[2-(4-chlorophenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one;4-[[2-(4-chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 158511743
N-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;N-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidine-5-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,2-thiazole-3-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide;N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidine-2-carboxamide
CID 161163173
N-[5-[4-[(4-chlorophenyl)-hydroxymethyl]piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-[[5-[4-[6-[[2-(1,3,3-trimethyl-2,6-dioxopurin-3-ium-7-yl)acetyl]amino]-3-pyridinyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]purin-7-yl]acetamide
CID 123394247
N-[3-[4-[5-[[7-[2-[[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-2,6-dioxopurin-1-yl]methyl]thiophene-2-carbonyl]piperazin-1-yl]-2-methyl-2,3-dihydropyridin-6-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 123846459
N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157059598
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 157229689

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide (CID 158208174) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cn2)n(C)c1=O.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The InChIKey is GBTBSDRTQBRSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O4.2C25H25FN8O4.C25H28N8O3.C24H32N8O4.C23H24N8O4S.C20H24N8O4/c2*1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-8-7-18(13-27-19)32-9-11-33(12-10-32)23(36)16-3-5-17(26)6-4-16;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-7-6-18(13-27-19)32-8-10-33(11-9-32)23(36)16-4-3-5-17(26)12-16;1-29-23-22(24(35)30(2)25(29)36)33(17-27-23)16-21(34)28-20-9-8-19(14-26-20)32-12-10-31(11-13-32)15-18-6-4-3-5-7-18;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-27-20-19(22(34)28(2)23(27)35)31(14-25-20)13-18(32)26-17-6-5-15(12-24-17)29-7-9-30(10-8-29)21(33)16-4-3-11-36-16;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2/h2*3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,29,35);3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,32);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 3512.18 g/mol, XLogP of 3.19, 35 rotatable bonds, 7 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158208174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).