3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

C108H105F3N26O16 — CID 161080863

About 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 161080863) has the molecular formula C108H105F3N26O16 and a molecular weight of 2080.19 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 161080863
• Molecular Formula: C108H105F3N26O16
• Molecular Weight: 2080.19 g/mol
• Exact Mass: 2078.82
• IUPAC Name: 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)N(C)c1nc2cc(C(=O)O)c(=O)[nH]c2nc1N1CCCCC1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cccnc1.CCc1nc2cc([N+](=O)[O-])cnc2nc1-c1ccc(F)cc1.CN(c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cnc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1
• InChI: InChI=1S/C21H21FN4O3.C20H18N4O3.C18H15FN4O3.C17H23N5O3.C17H17N5O2.C15H11FN4O2/c1-26(14-5-3-2-4-6-14)19-17(12-7-9-13(22)10-8-12)24-18-16(23-19)11-15(21(28)29)20(27)25-18;1-11(2)24(3)19-17(16-9-12-6-4-5-7-15(12)27-16)23-18-14(22-19)8-13(10-21-18)20(25)26;19-13-3-1-11(2-4-13)15-17(23-5-7-26-8-6-23)21-14-9-12(18(24)25)10-20-16(14)22-15;1-10(2)21(3)14-15(22-7-5-4-6-8-22)19-13-12(18-14)9-11(17(24)25)16(23)20-13;1-10(2)22(3)16-14(11-5-4-6-18-8-11)21-15-13(20-16)7-12(9-19-15)17(23)24;1-2-12-14(9-3-5-10(16)6-4-9)19-15-13(18-12)7-11(8-17-15)20(21)22/h7-11,14H,2-6H2,1H3,(H,28,29)(H,24,25,27);4-11H,1-3H3,(H,25,26);1-4,9-10H,5-8H2,(H,24,25);9-10H,4-8H2,1-3H3,(H,24,25)(H,19,20,23);4-10H,1-3H3,(H,23,24);3-8H,2H2,1H3
• InChIKey: UFWVPXDDMNZEKV-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 556.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.19
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (CID 161080863) is 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)c(=O)[nH]c2nc1N1CCCCC1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cccnc1.CCc1nc2cc([N+](=O)[O-])cnc2nc1-c1ccc(F)cc1.CN(c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1ccc(F)cc1)C1CCCCC1.O=C(O)c1cnc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1.

What is the InChIKey of 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is UFWVPXDDMNZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3.C20H18N4O3.C18H15FN4O3.C17H23N5O3.C17H17N5O2.C15H11FN4O2/c1-26(14-5-3-2-4-6-14)19-17(12-7-9-13(22)10-8-12)24-18-16(23-19)11-15(21(28)29)20(27)25-18;1-11(2)24(3)19-17(16-9-12-6-4-5-7-15(12)27-16)23-18-14(22-19)8-13(10-21-18)20(25)26;19-13-3-1-11(2-4-13)15-17(23-5-7-26-8-6-23)21-14-9-12(18(24)25)10-20-16(14)22-15;1-10(2)21(3)14-15(22-7-5-4-6-8-22)19-13-12(18-14)9-11(17(24)25)16(23)20-13;1-10(2)22(3)16-14(11-5-4-6-18-8-11)21-15-13(20-16)7-12(9-19-15)17(23)24;1-2-12-14(9-3-5-10(16)6-4-9)19-15-13(18-12)7-11(8-17-15)20(21)22/h7-11,14H,2-6H2,1H3,(H,28,29)(H,24,25,27);4-11H,1-3H3,(H,25,26);1-4,9-10H,5-8H2,(H,24,25);9-10H,4-8H2,1-3H3,(H,24,25)(H,19,20,23);4-10H,1-3H3,(H,23,24);3-8H,2H2,1H3.

What are the key properties of 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?

3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 2080.19 g/mol, XLogP of 17.72, 22 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-yl)-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[cyclohexyl(methyl)amino]-3-(4-fluorophenyl)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-ethyl-3-(4-fluorophenyl)-7-nitropyrido[2,3-b]pyrazine;3-(4-fluorophenyl)-2-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 161080863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).