2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid

C93H58F4N12O20S5 — CID 158993477

About 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid

2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 158993477) has the molecular formula C93H58F4N12O20S5 and a molecular weight of 1899.88 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 158993477
• Molecular Formula: C93H58F4N12O20S5
• Molecular Weight: 1899.88 g/mol
• Exact Mass: 1898.24
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
• SMILES: CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.O=C(Nc1scc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccnc1
• InChI: InChI=1S/C21H16N2O5S.C19H10F2N2O4S.2C19H11FN2O4S.C15H10N4O3S/c1-2-27-17-8-7-13(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;20-14-6-5-10(16(21)22-14)11-8-28-18(15(11)19(25)26)23-17(24)13-7-9-3-1-2-4-12(9)27-13;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;20-15-6-5-11(8-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-10-3-1-2-4-13(10)26-14;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/h3-11H,2H2,1H3,(H,23,24)(H,25,26);1-8H,(H,23,24)(H,25,26);2*1-9H,(H,22,23)(H,24,25);1-8H,(H,19,20)(H,21,22)
• InChIKey: JQLJWCSPTBICDG-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 484.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.88
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid (CID 158993477) is 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid is CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.O=C(Nc1scc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccnc1.

What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?

The InChIKey is JQLJWCSPTBICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5S.C19H10F2N2O4S.2C19H11FN2O4S.C15H10N4O3S/c1-2-27-17-8-7-13(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;20-14-6-5-10(16(21)22-14)11-8-28-18(15(11)19(25)26)23-17(24)13-7-9-3-1-2-4-12(9)27-13;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;20-15-6-5-11(8-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-10-3-1-2-4-13(10)26-14;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/h3-11H,2H2,1H3,(H,23,24)(H,25,26);1-8H,(H,23,24)(H,25,26);2*1-9H,(H,22,23)(H,24,25);1-8H,(H,19,20)(H,21,22).

What are the key properties of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?

2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 1899.88 g/mol, XLogP of 21.53, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)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-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 158993477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).