2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C139H92Cl5F4N19O26S8 — CID 162245873

IUPAC2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)cc12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1ccc2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2c(c1)=NCN=2.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1sc2ncccc2c1O
InChIInChI=1S/C21H15F2N3O4S.C21H15F2N3O3S.2C20H14ClN3O4S.C19H12ClN3O3S.C19H11ClN2O4S2.C19H11ClN2O4S/c1-10-5-6-11(18(23)17(10)22)12-9-31-20(16(12)21(28)29)24-19(27)13-8-14-15(30-2)4-3-7-26(14)25-13;1-10-3-5-12-7-15(25-26(12)8-10)19(27)24-20-16(21(28)29)14(9-30-20)13-6-4-11(2)17(22)18(13)23;1-28-16-3-2-8-24-15(16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-28-16-4-2-3-13-9-15(23-24(13)16)18(25)22-19-17(20(26)27)14(10-29-19)11-5-7-12(21)8-6-11;20-12-4-1-10(2-5-12)13-8-27-18(16(13)19(25)26)23-17(24)11-3-6-14-15(7-11)22-9-21-14;20-10-5-3-9(4-6-10)12-8-27-18(13(12)19(25)26)22-16(24)15-14(23)11-2-1-7-21-17(11)28-15;20-11-5-3-10(4-6-11)12-9-27-18(16(12)19(24)25)22-17(23)15-8-13-14(26-15)2-1-7-21-13/h3-9H,1-2H3,(H,24,27)(H,28,29);3-9H,1-2H3,(H,24,27)(H,28,29);2*2-10H,1H3,(H,22,25)(H,26,27);1-8H,9H2,(H,23,24)(H,25,26);1-8,23H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25)
InChIKeyZXIAVWCOPYKHRL-UHFFFAOYSA-N
MW2954.16 g/mol
LogP32.59
Rot. Bonds31

About 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 162245873) has the molecular formula C139H92Cl5F4N19O26S8 and a molecular weight of 2954.16 g/mol. Its IUPAC name is 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID162245873
Molecular FormulaC139H92Cl5F4N19O26S8
Molecular Weight2954.16 g/mol
Exact Mass2949.26
IUPAC Name2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)cc12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1ccc2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2c(c1)=NCN=2.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1sc2ncccc2c1O
InChIInChI=1S/C21H15F2N3O4S.C21H15F2N3O3S.2C20H14ClN3O4S.C19H12ClN3O3S.C19H11ClN2O4S2.C19H11ClN2O4S/c1-10-5-6-11(18(23)17(10)22)12-9-31-20(16(12)21(28)29)24-19(27)13-8-14-15(30-2)4-3-7-26(14)25-13;1-10-3-5-12-7-15(25-26(12)8-10)19(27)24-20-16(21(28)29)14(9-30-20)13-6-4-11(2)17(22)18(13)23;1-28-16-3-2-8-24-15(16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-28-16-4-2-3-13-9-15(23-24(13)16)18(25)22-19-17(20(26)27)14(10-29-19)11-5-7-12(21)8-6-11;20-12-4-1-10(2-5-12)13-8-27-18(16(13)19(25)26)23-17(24)11-3-6-14-15(7-11)22-9-21-14;20-10-5-3-9(4-6-10)12-8-27-18(13(12)19(25)26)22-16(24)15-14(23)11-2-1-7-21-17(11)28-15;20-11-5-3-10(4-6-11)12-9-27-18(16(12)19(24)25)22-17(23)15-8-13-14(26-15)2-1-7-21-13/h3-9H,1-2H3,(H,24,27)(H,28,29);3-9H,1-2H3,(H,24,27)(H,28,29);2*2-10H,1H3,(H,22,25)(H,26,27);1-8H,9H2,(H,23,24)(H,25,26);1-8,23H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25)
InChIKeyZXIAVWCOPYKHRL-UHFFFAOYSA-N
XLogP32.59
TPSA645.56 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002954.16
LogP ≤ 532.59
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

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Related Compounds

4-(4-Chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 158930474
4-(4-Chloro-2-fluorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(7-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 160807193
2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane
CID 161343789
4-(4-Chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 161438462
4-(4-Chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 161611175

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 162245873) is 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is COc1cccc2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)cc12.COc1cccn2nc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1ccc2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2c(c1)=NCN=2.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1sc2ncccc2c1O.
What is the InChIKey of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is ZXIAVWCOPYKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O4S.C21H15F2N3O3S.2C20H14ClN3O4S.C19H12ClN3O3S.C19H11ClN2O4S2.C19H11ClN2O4S/c1-10-5-6-11(18(23)17(10)22)12-9-31-20(16(12)21(28)29)24-19(27)13-8-14-15(30-2)4-3-7-26(14)25-13;1-10-3-5-12-7-15(25-26(12)8-10)19(27)24-20-16(21(28)29)14(9-30-20)13-6-4-11(2)17(22)18(13)23;1-28-16-3-2-8-24-15(16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;1-28-16-4-2-3-13-9-15(23-24(13)16)18(25)22-19-17(20(26)27)14(10-29-19)11-5-7-12(21)8-6-11;20-12-4-1-10(2-5-12)13-8-27-18(16(13)19(25)26)23-17(24)11-3-6-14-15(7-11)22-9-21-14;20-10-5-3-9(4-6-10)12-8-27-18(13(12)19(25)26)22-16(24)15-14(23)11-2-1-7-21-17(11)28-15;20-11-5-3-10(4-6-11)12-9-27-18(16(12)19(24)25)22-17(23)15-8-13-14(26-15)2-1-7-21-13/h3-9H,1-2H3,(H,24,27)(H,28,29);3-9H,1-2H3,(H,24,27)(H,28,29);2*2-10H,1H3,(H,22,25)(H,26,27);1-8H,9H2,(H,23,24)(H,25,26);1-8,23H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25).
What are the key properties of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2954.16 g/mol, XLogP of 32.59, 31 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 162245873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).