3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid

C108H95F3N20O15S6 — CID 158802876

About 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid

3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 158802876) has the molecular formula C108H95F3N20O15S6 and a molecular weight of 2162.47 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 158802876
• Molecular Formula: C108H95F3N20O15S6
• Molecular Weight: 2162.47 g/mol
• Exact Mass: 2160.56
• IUPAC Name: 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid
• SMILES: CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cccnc1.CN(c1cccnc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2s1
• InChI: InChI=1S/C19H13FN4O2S.C19H18FN3O2S.C19H17N3O3S.C18H17N3O4S.C17H14FN3O2S.C16H16N4O2S/c1-24(13-3-2-8-21-10-13)17-16(11-4-6-12(20)7-5-11)22-14-9-15(19(25)26)27-18(14)23-17;20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25;1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17;1-9(2)21(3)16-15(10-4-5-12-13(6-10)25-8-24-12)19-11-7-14(18(22)23)26-17(11)20-16;1-21(11-6-7-11)15-14(9-2-4-10(18)5-3-9)19-12-8-13(17(22)23)24-16(12)20-15;1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14/h2-10H,1H3,(H,25,26);5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);4-7,9H,8H2,1-3H3,(H,22,23);2-5,8,11H,6-7H2,1H3,(H,22,23);4-9H,1-3H3,(H,21,22)
• InChIKey: ITSDHOVANFDFRW-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 455.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.47
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid?

The IUPAC name of 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid (CID 158802876) is 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid.

What is the SMILES notation for 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid?

The canonical SMILES for 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cccnc1.CN(c1cccnc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2s1.

What is the InChIKey of 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is ITSDHOVANFDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S.C19H18FN3O2S.C19H17N3O3S.C18H17N3O4S.C17H14FN3O2S.C16H16N4O2S/c1-24(13-3-2-8-21-10-13)17-16(11-4-6-12(20)7-5-11)22-14-9-15(19(25)26)27-18(14)23-17;20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25;1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17;1-9(2)21(3)16-15(10-4-5-12-13(6-10)25-8-24-12)19-11-7-14(18(22)23)26-17(11)20-16;1-21(11-6-7-11)15-14(9-2-4-10(18)5-3-9)19-12-8-13(17(22)23)24-16(12)20-15;1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14/h2-10H,1H3,(H,25,26);5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);4-7,9H,8H2,1-3H3,(H,22,23);2-5,8,11H,6-7H2,1H3,(H,22,23);4-9H,1-3H3,(H,21,22).

What are the key properties of 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid?

3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2162.47 g/mol, XLogP of 24.30, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158802876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).