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

C90H83F4N15O14S3 — CID 159051138

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

3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 159051138) has the molecular formula C90H83F4N15O14S3 and a molecular weight of 1770.94 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 159051138
• Molecular Formula: C90H83F4N15O14S3
• Molecular Weight: 1770.94 g/mol
• Exact Mass: 1769.53
• IUPAC Name: 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1.CN(c1ccccc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1
• InChI: InChI=1S/C20H20FN3O2S.C20H14FN3O2S.C19H16FN3O4.C17H16FN3O2S.C14H17N3O4/c2*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;1-9(2)23(3)17-16(14-7-10-6-11(20)4-5-13(10)26-14)21-12-8-15(19(24)25)27-18(12)22-17;1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15;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);2-11H,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-9H,1-3H3,(H,22,23);7-8H,3-6H2,1-2H3,(H,18,19)
• InChIKey: JXGYQIOIJPNEKO-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 380.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.94
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (CID 159051138) is 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1.CN(c1ccccc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.CN(c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.

What is the InChIKey of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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 JXGYQIOIJPNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S.C20H14FN3O2S.C19H16FN3O4.C17H16FN3O2S.C14H17N3O4/c2*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;1-9(2)23(3)17-16(14-7-10-6-11(20)4-5-13(10)26-14)21-12-8-15(19(24)25)27-18(12)22-17;1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15;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);2-11H,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-9H,1-3H3,(H,22,23);7-8H,3-6H2,1-2H3,(H,18,19).

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

3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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 1770.94 g/mol, XLogP of 20.17, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[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 159051138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).