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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid

C120H109F7N30O14 — CID 158104238

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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158104238) has the molecular formula C120H109F7N30O14 and a molecular weight of 2328.37 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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 158104238
• Molecular Formula: C120H109F7N30O14
• Molecular Weight: 2328.37 g/mol
• Exact Mass: 2326.86
• 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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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.CC1CCCN1c1nc2cc(-c3nn[nH]n3)cnc2nc1-c1ccc(F)cc1.CN(c1ccccc1)c1nc2cc(C(=O)O)c(C(F)(F)F)nc2nc1-c1ccc(F)cc1.CN(c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1ccc(F)cc1)C1CCCCC1.COc1nc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2cc1C(=O)O
• InChI: InChI=1S/C22H14F4N4O2.C21H16FN5O3.C21H21FN4O3.C20H18N4O3.C19H17FN8.C17H23N5O3/c1-30(14-5-3-2-4-6-14)20-17(12-7-9-13(23)10-8-12)28-19-16(27-20)11-15(21(31)32)18(29-19)22(24,25)26;1-27(14-4-3-9-23-11-14)19-17(12-5-7-13(22)8-6-12)25-18-16(24-19)10-15(21(28)29)20(26-18)30-2;1-26(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;1-11-3-2-8-28(11)19-16(12-4-6-14(20)7-5-12)23-18-15(22-19)9-13(10-21-18)17-24-26-27-25-17;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/h2-11H,1H3,(H,31,32);3-11H,1-2H3,(H,28,29);7-11,14H,2-6H2,1H3,(H,28,29)(H,24,25,27);4-11H,1-3H3,(H,25,26);4-7,9-11H,2-3,8H2,1H3,(H,24,25,26,27);9-10H,4-8H2,1-3H3,(H,24,25)(H,19,20,23)
• InChIKey: FPQGMOLAESWXBA-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 570.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.37
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid (CID 158104238) 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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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.CC1CCCN1c1nc2cc(-c3nn[nH]n3)cnc2nc1-c1ccc(F)cc1.CN(c1ccccc1)c1nc2cc(C(=O)O)c(C(F)(F)F)nc2nc1-c1ccc(F)cc1.CN(c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1ccc(F)cc1)C1CCCCC1.COc1nc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2cc1C(=O)O.

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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is FPQGMOLAESWXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2.C21H16FN5O3.C21H21FN4O3.C20H18N4O3.C19H17FN8.C17H23N5O3/c1-30(14-5-3-2-4-6-14)20-17(12-7-9-13(23)10-8-12)28-19-16(27-20)11-15(21(31)32)18(29-19)22(24,25)26;1-27(14-4-3-9-23-11-14)19-17(12-5-7-13(22)8-6-12)25-18-16(24-19)10-15(21(28)29)20(26-18)30-2;1-26(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;1-11-3-2-8-28(11)19-16(12-4-6-14(20)7-5-12)23-18-15(22-19)9-13(10-21-18)17-24-26-27-25-17;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/h2-11H,1H3,(H,31,32);3-11H,1-2H3,(H,28,29);7-11,14H,2-6H2,1H3,(H,28,29)(H,24,25,27);4-11H,1-3H3,(H,25,26);4-7,9-11H,2-3,8H2,1H3,(H,24,25,26,27);9-10H,4-8H2,1-3H3,(H,24,25)(H,19,20,23).

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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 2328.37 g/mol, XLogP of 21.44, 24 rotatable bonds, 8 hydrogen bond donors, and 36 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;3-(4-fluorophenyl)-6-methoxy-2-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-6-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-7-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazine;2-[methyl(propan-2-yl)amino]-6-oxo-3-piperidin-1-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158104238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).