4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid

C139H90F6N14O30S7 — CID 157178915

IUPAC4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.COc1cnc(-c2scc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cn1.Cc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1cnc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.O=C(Cc1csc(-c2cnc(C(F)(F)F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C21H16N2O4S.C21H15NO5S.C20H11F3N2O4S.C20H14N2O4S.C19H10F2N2O4S.C19H11FN2O4S.C19H13N3O5S/c1-11-9-22-19(12(2)23-11)20-18(21(25)26)14(10-28-20)7-15(24)17-8-13-5-3-4-6-16(13)27-17;1-26-18-7-6-13(10-22-18)20-19(21(24)25)14(11-28-20)8-15(23)17-9-12-4-2-3-5-16(12)27-17;21-20(22,23)19-24-7-12(8-25-19)17-16(18(27)28)11(9-30-17)5-13(26)15-6-10-3-1-2-4-14(10)29-15;1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16;20-14-6-5-10(17(21)23-14)16-15(19(25)26)11(8-28-16)22-18(24)13-7-9-3-1-2-4-12(9)27-13;20-15-6-5-11(8-21-15)17-16(19(24)25)12(9-27-17)22-18(23)14-7-10-3-1-2-4-13(10)26-14;1-26-15-8-20-12(7-21-15)17-16(19(24)25)10(9-28-17)6-13(23)18-22-11-4-2-3-5-14(11)27-18/h3-6,8-10H,7H2,1-2H3,(H,25,26);2-7,9-11H,8H2,1H3,(H,24,25);1-4,6-9H,5H2,(H,27,28);2-10H,1H3,(H,22,23)(H,24,25);1-8H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25);2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyAOIPXZMXFVYBHM-UHFFFAOYSA-N
MW2774.77 g/mol
LogP32.20
Rot. Bonds34

About 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid

4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (PubChem CID 157178915) has the molecular formula C139H90F6N14O30S7 and a molecular weight of 2774.77 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
PubChem CID157178915
Molecular FormulaC139H90F6N14O30S7
Molecular Weight2774.77 g/mol
Exact Mass2772.39
IUPAC Name4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.COc1cnc(-c2scc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cn1.Cc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1cnc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.O=C(Cc1csc(-c2cnc(C(F)(F)F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C21H16N2O4S.C21H15NO5S.C20H11F3N2O4S.C20H14N2O4S.C19H10F2N2O4S.C19H11FN2O4S.C19H13N3O5S/c1-11-9-22-19(12(2)23-11)20-18(21(25)26)14(10-28-20)7-15(24)17-8-13-5-3-4-6-16(13)27-17;1-26-18-7-6-13(10-22-18)20-19(21(24)25)14(11-28-20)8-15(23)17-9-12-4-2-3-5-16(12)27-17;21-20(22,23)19-24-7-12(8-25-19)17-16(18(27)28)11(9-30-17)5-13(26)15-6-10-3-1-2-4-14(10)29-15;1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16;20-14-6-5-10(17(21)23-14)16-15(19(25)26)11(8-28-16)22-18(24)13-7-9-3-1-2-4-12(9)27-13;20-15-6-5-11(8-21-15)17-16(19(24)25)12(9-27-17)22-18(23)14-7-10-3-1-2-4-13(10)26-14;1-26-15-8-20-12(7-21-15)17-16(19(24)25)10(9-28-17)6-13(23)18-22-11-4-2-3-5-14(11)27-18/h3-6,8-10H,7H2,1-2H3,(H,25,26);2-7,9-11H,8H2,1H3,(H,24,25);1-4,6-9H,5H2,(H,27,28);2-10H,1H3,(H,22,23)(H,24,25);1-8H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25);2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyAOIPXZMXFVYBHM-UHFFFAOYSA-N
XLogP32.20
TPSA668.91 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.77
LogP ≤ 532.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-fluoro-4-methylpyridine;propane
CID 144157497
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[5-(trifluoromethyl)pyrazin-2-yl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
CID 157824089
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
CID 157933682
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid
CID 160338398
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
CID 161081489
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
CID 161791291
N-[(5-cyclohexylsulfonyl-2-pyridinyl)methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide);N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 161794464
2-(1-Benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
CID 161884532
4-[4-[7-Tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;1-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one;[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 162221479
5-(2,4-Dimethylfuran-3-yl)-8-[(2-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-heptan-4-yl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-11-one;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[phenyl(1,3-thiazol-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[phenyl(1,3-thiazol-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[11-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157433438
6-[[5-(aminomethyl)-2-fluorophenyl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-carbamoylthiophen-2-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid;methane
CID 157513103
5-cyclopentyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylthieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid;6-morpholin-4-yl-5-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
CID 157655553

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (CID 157178915) is 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid is COc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.COc1cnc(-c2scc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cn1.Cc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1cnc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.O=C(Cc1csc(-c2cnc(C(F)(F)F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?
The InChIKey is AOIPXZMXFVYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S.C21H15NO5S.C20H11F3N2O4S.C20H14N2O4S.C19H10F2N2O4S.C19H11FN2O4S.C19H13N3O5S/c1-11-9-22-19(12(2)23-11)20-18(21(25)26)14(10-28-20)7-15(24)17-8-13-5-3-4-6-16(13)27-17;1-26-18-7-6-13(10-22-18)20-19(21(24)25)14(11-28-20)8-15(23)17-9-12-4-2-3-5-16(12)27-17;21-20(22,23)19-24-7-12(8-25-19)17-16(18(27)28)11(9-30-17)5-13(26)15-6-10-3-1-2-4-14(10)29-15;1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16;20-14-6-5-10(17(21)23-14)16-15(19(25)26)11(8-28-16)22-18(24)13-7-9-3-1-2-4-12(9)27-13;20-15-6-5-11(8-21-15)17-16(19(24)25)12(9-27-17)22-18(23)14-7-10-3-1-2-4-13(10)26-14;1-26-15-8-20-12(7-21-15)17-16(19(24)25)10(9-28-17)6-13(23)18-22-11-4-2-3-5-14(11)27-18/h3-6,8-10H,7H2,1-2H3,(H,25,26);2-7,9-11H,8H2,1H3,(H,24,25);1-4,6-9H,5H2,(H,27,28);2-10H,1H3,(H,22,23)(H,24,25);1-8H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25);2-5,7-9H,6H2,1H3,(H,24,25).
What are the key properties of 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?
4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid has a molecular weight of 2774.77 g/mol, XLogP of 32.20, 34 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonylamino)-2-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazin-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 157178915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).