7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C128H109F3N24O10S6 — CID 161316452

IUPAC7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.CC(F)Oc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.Cc1cccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1cccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1N1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C24H23N5O2S.2C23H21N5O2S.C21H18FN3OS.C19H13F2N3O2S.C18H13N3OS/c1-15-5-4-6-16(11-15)12-17-13-29(10-9-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-7-2-3-8-26-19;1-15-5-4-6-16(13-15)27-9-11-28(12-10-27)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-7-2-3-8-24-18;1-15-6-2-3-8-18(15)27-10-12-28(13-11-27)23(30)16-14-31-20-19(16)25-21(26-22(20)29)17-7-4-5-9-24-17;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;1-10(20)26-11-5-6-12(14(21)8-11)13-9-27-17-16(13)23-18(24-19(17)25)15-4-2-3-7-22-15;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h2-8,11,14,17,25H,9-10,12-13H2,1H3,(H,27,28,30);2-8,13-14H,9-12H2,1H3,(H,25,26,29);2-9,14H,10-13H2,1H3,(H,25,26,29);4-11H,1-3H3,(H,24,25,26);2-10H,1H3,(H,23,24,25);2-10H,1H3,(H,20,21,22)
InChIKeyVJOHFGNPTHEPIP-UHFFFAOYSA-N
MW2392.83 g/mol
LogP23.37
Rot. Bonds18

About 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 161316452) has the molecular formula C128H109F3N24O10S6 and a molecular weight of 2392.83 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID161316452
Molecular FormulaC128H109F3N24O10S6
Molecular Weight2392.83 g/mol
Exact Mass2390.70
IUPAC Name7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.CC(F)Oc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.Cc1cccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1cccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1N1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C24H23N5O2S.2C23H21N5O2S.C21H18FN3OS.C19H13F2N3O2S.C18H13N3OS/c1-15-5-4-6-16(11-15)12-17-13-29(10-9-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-7-2-3-8-26-19;1-15-5-4-6-16(13-15)27-9-11-28(12-10-27)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-7-2-3-8-24-18;1-15-6-2-3-8-18(15)27-10-12-28(13-11-27)23(30)16-14-31-20-19(16)25-21(26-22(20)29)17-7-4-5-9-24-17;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;1-10(20)26-11-5-6-12(14(21)8-11)13-9-27-17-16(13)23-18(24-19(17)25)15-4-2-3-7-22-15;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h2-8,11,14,17,25H,9-10,12-13H2,1H3,(H,27,28,30);2-8,13-14H,9-12H2,1H3,(H,25,26,29);2-9,14H,10-13H2,1H3,(H,25,26,29);4-11H,1-3H3,(H,24,25,26);2-10H,1H3,(H,23,24,25);2-10H,1H3,(H,20,21,22)
InChIKeyVJOHFGNPTHEPIP-UHFFFAOYSA-N
XLogP23.37
TPSA440.51 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002392.83
LogP ≤ 523.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

N-[3-(benzylsulfonylamino)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(pyridin-3-ylmethyl)amino]propyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide;N-[3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(pyridin-3-ylmethyl)amino]propyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 162078874
CID 162258403
CID 162258403
5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 157198702
N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;methane;7-(7-methoxy-8-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157246692
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157436245
6,7-dimethyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157475858
N-benzyl-N-methyl-5-thiophen-2-ylpyridine-3-carboxamide;N-(4-fluoro-2-methylphenyl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(5-fluoro-2-methylphenyl)-5-thiophen-2-ylpyridine-3-carboxamide;methane;5-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;5-(3-methoxyphenyl)-N-(2-phenylethyl)pyridine-3-carboxamide;N-(4-phenylbutan-2-yl)-5-thiophen-2-ylpyridine-3-carboxamide
CID 157645216
N,5-dimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;5-ethyl-6-methyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-(furan-2-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-methyl-6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 157754953
7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(oxolan-3-yloxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157814472
5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 158095556
7-(2-benzyloxane-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-cyclopentyloxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 158800567
7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 158820924

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 161316452) is 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.CC(F)Oc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(F)c1.Cc1cccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1cccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1N1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.
What is the InChIKey of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VJOHFGNPTHEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S.2C23H21N5O2S.C21H18FN3OS.C19H13F2N3O2S.C18H13N3OS/c1-15-5-4-6-16(11-15)12-17-13-29(10-9-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-7-2-3-8-26-19;1-15-5-4-6-16(13-15)27-9-11-28(12-10-27)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-7-2-3-8-24-18;1-15-6-2-3-8-18(15)27-10-12-28(13-11-27)23(30)16-14-31-20-19(16)25-21(26-22(20)29)17-7-4-5-9-24-17;1-21(2,3)12-7-8-13(15(22)10-12)14-11-27-18-17(14)24-19(25-20(18)26)16-6-4-5-9-23-16;1-10(20)26-11-5-6-12(14(21)8-11)13-9-27-17-16(13)23-18(24-19(17)25)15-4-2-3-7-22-15;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h2-8,11,14,17,25H,9-10,12-13H2,1H3,(H,27,28,30);2-8,13-14H,9-12H2,1H3,(H,25,26,29);2-9,14H,10-13H2,1H3,(H,25,26,29);4-11H,1-3H3,(H,24,25,26);2-10H,1H3,(H,23,24,25);2-10H,1H3,(H,20,21,22).
What are the key properties of 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2392.83 g/mol, XLogP of 23.37, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 161316452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).