3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid

C107H112F2N18O22 — CID 157258420

About 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid

3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 157258420) has the molecular formula C107H112F2N18O22 and a molecular weight of 2040.17 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 157258420
• Molecular Formula: C107H112F2N18O22
• Molecular Weight: 2040.17 g/mol
• Exact Mass: 2038.82
• IUPAC Name: 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
• SMILES: CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCCC1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
• InChI: InChI=1S/C20H20FN3O3.C19H18FN3O3.C19H17N3O4.C18H17N3O5.C17H23N3O3.C14H17N3O4/c1-24(14-5-3-2-4-6-14)18-17(12-7-9-13(21)10-8-12)22-15-11-16(20(25)26)27-19(15)23-18;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;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h7-11,14H,2-6H2,1H3,(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);9-11H,4-8H2,1-3H3,(H,21,22);7-8H,3-6H2,1-2H3,(H,18,19)
• InChIKey: AXDXPBKQUOYPRN-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 517.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.17
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (CID 157258420) is 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid.

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

The canonical SMILES for 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCCC1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.

What is the InChIKey of 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is AXDXPBKQUOYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3.C19H18FN3O3.C19H17N3O4.C18H17N3O5.C17H23N3O3.C14H17N3O4/c1-24(14-5-3-2-4-6-14)18-17(12-7-9-13(21)10-8-12)22-15-11-16(20(25)26)27-19(15)23-18;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;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h7-11,14H,2-6H2,1H3,(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);9-11H,4-8H2,1-3H3,(H,21,22);7-8H,3-6H2,1-2H3,(H,18,19).

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

3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2040.17 g/mol, XLogP of 21.64, 22 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 157258420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).