3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

C117H108F4N18O19 — CID 157132229

About 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 157132229) has the molecular formula C117H108F4N18O19 and a molecular weight of 2146.25 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 157132229
• Molecular Formula: C117H108F4N18O19
• Molecular Weight: 2146.25 g/mol
• Exact Mass: 2144.80
• IUPAC Name: 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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)cc2nc1C1CCCCC1.CN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1
• InChI: InChI=1S/C22H16FN3O3.C20H20FN3O3.C20H14FN3O3.C19H18FN3O3.C19H17N3O4.C17H23N3O3/c23-15-9-7-14(8-10-15)19-20(25-21-16(24-19)12-18(29-21)22(27)28)26-11-3-5-13-4-1-2-6-17(13)26;2*1-24(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;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15/h1-2,4,6-10,12H,3,5,11H2,(H,27,28);7-11,14H,2-6H2,1H3,(H,25,26);2-11H,1H3,(H,25,26);5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);9-11H,4-8H2,1-3H3,(H,21,22)
• InChIKey: AJEZUXZOPVZCOO-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 489.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.25
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (CID 157132229) is 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[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)cc2nc1C1CCCCC1.CN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1.

What is the InChIKey of 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is AJEZUXZOPVZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3.C20H20FN3O3.C20H14FN3O3.C19H18FN3O3.C19H17N3O4.C17H23N3O3/c23-15-9-7-14(8-10-15)19-20(25-21-16(24-19)12-18(29-21)22(27)28)26-11-3-5-13-4-1-2-6-17(13)26;2*1-24(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;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15/h1-2,4,6-10,12H,3,5,11H2,(H,27,28);7-11,14H,2-6H2,1H3,(H,25,26);2-11H,1H3,(H,25,26);5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);9-11H,4-8H2,1-3H3,(H,21,22).

What are the key properties of 3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

3-(azepan-1-yl)-2-(4-fluorophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2146.25 g/mol, XLogP of 25.90, 22 rotatable bonds, 6 hydrogen bond donors, and 31 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-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-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 157132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).