3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

C95H77F5N16O15 — CID 158246701

About 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 158246701) has the molecular formula C95H77F5N16O15 and a molecular weight of 1777.75 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 158246701
• Molecular Formula: C95H77F5N16O15
• Molecular Weight: 1777.75 g/mol
• Exact Mass: 1776.57
• IUPAC Name: 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
• SMILES: CN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)nc1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2o1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1
• InChI: InChI=1S/C22H16FN3O3.C20H20FN3O3.C19H13FN4O3.2C17H14FN3O3/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;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;1-24(12-5-3-2-4-6-12)17-16(11-7-8-15(20)21-10-11)22-13-9-14(19(25)26)27-18(13)23-17;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;18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(22)23/h1-2,4,6-10,12H,3,5,11H2,(H,27,28);7-11,14H,2-6H2,1H3,(H,25,26);2-10H,1H3,(H,25,26);2-5,8,11H,6-7H2,1H3,(H,22,23);3-6,9H,1-2,7-8H2,(H,22,23)
• InChIKey: GGEYPYRFBOPKKH-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 410.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.75
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

The IUPAC name of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (CID 158246701) is 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid.

What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

The canonical SMILES for 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid is CN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)nc1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1.CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2o1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1.

What is the InChIKey of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is GGEYPYRFBOPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3.C20H20FN3O3.C19H13FN4O3.2C17H14FN3O3/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;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;1-24(12-5-3-2-4-6-12)17-16(11-7-8-15(20)21-10-11)22-13-9-14(19(25)26)27-18(13)23-17;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;18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(22)23/h1-2,4,6-10,12H,3,5,11H2,(H,27,28);7-11,14H,2-6H2,1H3,(H,25,26);2-10H,1H3,(H,25,26);2-5,8,11H,6-7H2,1H3,(H,22,23);3-6,9H,1-2,7-8H2,(H,22,23).

What are the key properties of 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?

3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 1777.75 g/mol, XLogP of 19.85, 18 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)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-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158246701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).