4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid

C131H110ClFN28O24S8 — CID 158008823

About 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid

4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 158008823) has the molecular formula C131H110ClFN28O24S8 and a molecular weight of 2771.48 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 158008823
• Molecular Formula: C131H110ClFN28O24S8
• Molecular Weight: 2771.48 g/mol
• Exact Mass: 2768.57
• IUPAC Name: 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
• SMILES: CCOc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cccnc2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cnn(C)c2Cl)c1C(=O)O.O=C(Nc1csc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2cnccn2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2cnccn2)c1C(=O)O)c1ccncc1
• InChI: InChI=1S/C21H21N5O3S.C21H16N2O5S.C20H21ClN6O3S.C20H21N5O3S2.C19H11FN2O4S.2C15H10N4O3S/c1-13-15(11-23-21(24-13)26-8-3-2-4-9-26)18-17(20(28)29)16(12-30-18)25-19(27)14-6-5-7-22-10-14;1-2-27-17-8-7-13(10-22-17)19-18(21(25)26)14(11-29-19)23-20(24)16-9-12-5-3-4-6-15(12)28-16;1-11-12(8-22-20(24-11)27-6-4-3-5-7-27)16-15(19(29)30)14(10-31-16)25-18(28)13-9-23-26(2)17(13)21;1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25;20-15-8-11(5-6-21-15)17-16(19(24)25)12(9-27-17)22-18(23)14-7-10-3-1-2-4-13(10)26-14;20-14(9-1-3-16-4-2-9)19-11-8-23-13(12(11)15(21)22)10-7-17-5-6-18-10;20-14(9-2-1-3-16-6-9)19-11-8-23-13(12(11)15(21)22)10-7-17-4-5-18-10/h5-7,10-12H,2-4,8-9H2,1H3,(H,25,27)(H,28,29);3-11H,2H2,1H3,(H,23,24)(H,25,26);8-10H,3-7H2,1-2H3,(H,25,28)(H,29,30);8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28);1-9H,(H,22,23)(H,24,25);2*1-8H,(H,19,20)(H,21,22)
• InChIKey: FEQAQKQRGCANAN-UHFFFAOYSA-N
• XLogP: 26.56
• TPSA: 734.09 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2771.48
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?

The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (CID 158008823) is 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.

What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?

The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is CCOc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cccnc2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cnn(C)c2Cl)c1C(=O)O.O=C(Nc1csc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2cnccn2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2cnccn2)c1C(=O)O)c1ccncc1.

What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?

The InChIKey is FEQAQKQRGCANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S.C21H16N2O5S.C20H21ClN6O3S.C20H21N5O3S2.C19H11FN2O4S.2C15H10N4O3S/c1-13-15(11-23-21(24-13)26-8-3-2-4-9-26)18-17(20(28)29)16(12-30-18)25-19(27)14-6-5-7-22-10-14;1-2-27-17-8-7-13(10-22-17)19-18(21(25)26)14(11-29-19)23-20(24)16-9-12-5-3-4-6-15(12)28-16;1-11-12(8-22-20(24-11)27-6-4-3-5-7-27)16-15(19(29)30)14(10-31-16)25-18(28)13-9-23-26(2)17(13)21;1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25;20-15-8-11(5-6-21-15)17-16(19(24)25)12(9-27-17)22-18(23)14-7-10-3-1-2-4-13(10)26-14;20-14(9-1-3-16-4-2-9)19-11-8-23-13(12(11)15(21)22)10-7-17-5-6-18-10;20-14(9-2-1-3-16-6-9)19-11-8-23-13(12(11)15(21)22)10-7-17-4-5-18-10/h5-7,10-12H,2-4,8-9H2,1H3,(H,25,27)(H,28,29);3-11H,2H2,1H3,(H,23,24)(H,25,26);8-10H,3-7H2,1-2H3,(H,25,28)(H,29,30);8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28);1-9H,(H,22,23)(H,24,25);2*1-8H,(H,19,20)(H,21,22).

What are the key properties of 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?

4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 2771.48 g/mol, XLogP of 26.56, 33 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-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-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 158008823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).