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

C111H89ClFN23O21S6 — CID 158854087

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

2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 158854087) has the molecular formula C111H89ClFN23O21S6 and a molecular weight of 2327.93 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 158854087
• Molecular Formula: C111H89ClFN23O21S6
• Molecular Weight: 2327.93 g/mol
• Exact Mass: 2325.46
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
• SMILES: CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2cccnc2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2cnn(C)c2Cl)c1C(=O)O.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccnc1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1ccncc1
• InChI: InChI=1S/C21H21N5O3S.C21H16N2O5S.C20H21ClN6O3S.C19H11FN2O4S.2C15H10N4O3S/c1-13-15(11-23-21(24-13)26-8-3-2-4-9-26)16-12-30-19(17(16)20(28)29)25-18(27)14-6-5-7-22-10-14;1-2-27-17-8-7-13(10-22-17)14-11-29-20(18(14)21(25)26)23-19(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)14-10-31-18(15(14)19(29)30)25-17(28)13-9-23-26(2)16(13)21;20-15-8-10(5-6-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-11-3-1-2-4-13(11)26-14;20-13(9-1-3-16-4-2-9)19-14-12(15(21)22)10(8-23-14)11-7-17-5-6-18-11;20-13(9-2-1-3-16-6-9)19-14-12(15(21)22)10(8-23-14)11-7-17-4-5-18-11/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);1-9H,(H,22,23)(H,24,25);2*1-8H,(H,19,20)(H,21,22)
• InChIKey: IZUYUGSMCGTURJ-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 625.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.93
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (CID 158854087) is 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.

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

The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2cccnc2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2cnn(C)c2Cl)c1C(=O)O.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccnc1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1ccncc1.

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

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

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

2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 2327.93 g/mol, XLogP of 22.34, 28 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 158854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).