tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

C131H101Cl6N31O21S9 — CID 161265233

IUPACtert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1cnn(-c2ccc(Cl)cc2)c1.Cc1cc(-c2scc(NC(=O)c3ccn(C)c3Cl)c2C(=O)O)n(C)n1.Cc1cc(-c2scc(NC(=O)c3scnc3C)c2C(=O)O)n(C)n1.Cc1cnsc1C(=O)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O.Cn1cnc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cnccn1
InChIInChI=1S/C23H20ClN5O3S.C20H13ClN4O3S.C19H14ClN5O3S.C19H12ClN5O3S.C19H13ClN4O3S2.C16H15ClN4O3S.C15H14N4O3S2/c1-23(2,3)32-22(31)19-18(28-21(30)17-11-25-8-9-26-17)13-33-20(19)14-10-27-29(12-14)16-6-4-15(24)5-7-16;21-14-3-5-15(6-4-14)25-10-13(9-23-25)18-17(20(27)28)16(11-29-18)24-19(26)12-2-1-7-22-8-12;1-24-8-14(21-10-24)18(26)23-15-9-29-17(16(15)19(27)28)11-6-22-25(7-11)13-4-2-12(20)3-5-13;20-12-1-3-13(4-2-12)25-9-11(7-23-25)17-16(19(27)28)15(10-29-17)24-18(26)14-8-21-5-6-22-14;1-10-6-22-29-16(10)18(25)23-14-9-28-17(15(14)19(26)27)11-7-21-24(8-11)13-4-2-12(20)3-5-13;1-8-6-11(21(3)19-8)13-12(16(23)24)10(7-25-13)18-15(22)9-4-5-20(2)14(9)17;1-7-4-10(19(3)18-7)13-11(15(21)22)9(5-23-13)17-14(20)12-8(2)16-6-24-12/h4-13H,1-3H3,(H,28,30);1-11H,(H,24,26)(H,27,28);2-10H,1H3,(H,23,26)(H,27,28);1-10H,(H,24,26)(H,27,28);2-9H,1H3,(H,23,25)(H,26,27);4-7H,1-3H3,(H,18,22)(H,23,24);4-6H,1-3H3,(H,17,20)(H,21,22)
InChIKeyVDCBECLPQDHSCR-UHFFFAOYSA-N
MW2946.77 g/mol
LogP29.33
Rot. Bonds33

About tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 161265233) has the molecular formula C131H101Cl6N31O21S9 and a molecular weight of 2946.77 g/mol. Its IUPAC name is tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID161265233
Molecular FormulaC131H101Cl6N31O21S9
Molecular Weight2946.77 g/mol
Exact Mass2941.34
IUPAC Nametert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1cnn(-c2ccc(Cl)cc2)c1.Cc1cc(-c2scc(NC(=O)c3ccn(C)c3Cl)c2C(=O)O)n(C)n1.Cc1cc(-c2scc(NC(=O)c3scnc3C)c2C(=O)O)n(C)n1.Cc1cnsc1C(=O)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O.Cn1cnc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cnccn1
InChIInChI=1S/C23H20ClN5O3S.C20H13ClN4O3S.C19H14ClN5O3S.C19H12ClN5O3S.C19H13ClN4O3S2.C16H15ClN4O3S.C15H14N4O3S2/c1-23(2,3)32-22(31)19-18(28-21(30)17-11-25-8-9-26-17)13-33-20(19)14-10-27-29(12-14)16-6-4-15(24)5-7-16;21-14-3-5-15(6-4-14)25-10-13(9-23-25)18-17(20(27)28)16(11-29-18)24-19(26)12-2-1-7-22-8-12;1-24-8-14(21-10-24)18(26)23-15-9-29-17(16(15)19(27)28)11-6-22-25(7-11)13-4-2-12(20)3-5-13;20-12-1-3-13(4-2-12)25-9-11(7-23-25)17-16(19(27)28)15(10-29-17)24-18(26)14-8-21-5-6-22-14;1-10-6-22-29-16(10)18(25)23-14-9-28-17(15(14)19(26)27)11-7-21-24(8-11)13-4-2-12(20)3-5-13;1-8-6-11(21(3)19-8)13-12(16(23)24)10(7-25-13)18-15(22)9-4-5-20(2)14(9)17;1-7-4-10(19(3)18-7)13-11(15(21)22)9(5-23-13)17-14(20)12-8(2)16-6-24-12/h4-13H,1-3H3,(H,28,30);1-11H,(H,24,26)(H,27,28);2-10H,1H3,(H,23,26)(H,27,28);1-10H,(H,24,26)(H,27,28);2-9H,1H3,(H,23,25)(H,26,27);4-7H,1-3H3,(H,18,22)(H,23,24);4-6H,1-3H3,(H,17,20)(H,21,22)
InChIKeyVDCBECLPQDHSCR-UHFFFAOYSA-N
XLogP29.33
TPSA691.52 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002946.77
LogP ≤ 529.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

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Related Compounds

4-(4-Chlorophenyl)-2-[[7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid
CID 158183982
2-(4-Chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 160602348
Tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-4-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-(2,5-dimethylpyrazol-3-yl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 157442158
2-(4-Bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 158171427
4-(4-Bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 4-(4-bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 158418903
4-[(2-Chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
CID 158901888
2-[(2-Chloro-1-methylpyrrole-3-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid;2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
CID 160385244
2-(4-Bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 160650725
2-(4-Chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160802656
4-[(2-Chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;methane;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
CID 161396258
Tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 161632552
4-(4-Bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 4-(4-bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 161798567

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (CID 161265233) is tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1cnn(-c2ccc(Cl)cc2)c1.Cc1cc(-c2scc(NC(=O)c3ccn(C)c3Cl)c2C(=O)O)n(C)n1.Cc1cc(-c2scc(NC(=O)c3scnc3C)c2C(=O)O)n(C)n1.Cc1cnsc1C(=O)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O.Cn1cnc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cnccn1.
What is the InChIKey of tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is VDCBECLPQDHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S.C20H13ClN4O3S.C19H14ClN5O3S.C19H12ClN5O3S.C19H13ClN4O3S2.C16H15ClN4O3S.C15H14N4O3S2/c1-23(2,3)32-22(31)19-18(28-21(30)17-11-25-8-9-26-17)13-33-20(19)14-10-27-29(12-14)16-6-4-15(24)5-7-16;21-14-3-5-15(6-4-14)25-10-13(9-23-25)18-17(20(27)28)16(11-29-18)24-19(26)12-2-1-7-22-8-12;1-24-8-14(21-10-24)18(26)23-15-9-29-17(16(15)19(27)28)11-6-22-25(7-11)13-4-2-12(20)3-5-13;20-12-1-3-13(4-2-12)25-9-11(7-23-25)17-16(19(27)28)15(10-29-17)24-18(26)14-8-21-5-6-22-14;1-10-6-22-29-16(10)18(25)23-14-9-28-17(15(14)19(26)27)11-7-21-24(8-11)13-4-2-12(20)3-5-13;1-8-6-11(21(3)19-8)13-12(16(23)24)10(7-25-13)18-15(22)9-4-5-20(2)14(9)17;1-7-4-10(19(3)18-7)13-11(15(21)22)9(5-23-13)17-14(20)12-8(2)16-6-24-12/h4-13H,1-3H3,(H,28,30);1-11H,(H,24,26)(H,27,28);2-10H,1H3,(H,23,26)(H,27,28);1-10H,(H,24,26)(H,27,28);2-9H,1H3,(H,23,25)(H,26,27);4-7H,1-3H3,(H,18,22)(H,23,24);4-6H,1-3H3,(H,17,20)(H,21,22).
What are the key properties of tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2946.77 g/mol, XLogP of 29.33, 33 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 161265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).