2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine

C129H114F4N34O16 — CID 158099367

About 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine

2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine (PubChem CID 158099367) has the molecular formula C129H114F4N34O16 and a molecular weight of 2472.54 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
• PubChem CID: 158099367
• Molecular Formula: C129H114F4N34O16
• Molecular Weight: 2472.54 g/mol
• Exact Mass: 2470.91
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
• SMILES: CC(C)N(C)c1nc2nc(-c3nn[nH]n3)ccc2nc1-c1cccnc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.CCc1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.COc1cc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2nc1C(=O)O.NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2n1
• InChI: InChI=1S/C21H16FN5O3.C20H18N4O3.C19H18N4O4.C18H16FN5O2.C18H17FN4O2.C17H17N9.C16H12FN3O2/c1-27(14-4-3-9-23-11-14)20-17(12-5-7-13(22)8-6-12)24-15-10-16(30-2)18(21(28)29)25-19(15)26-20;1-11(2)24(3)19-17(16-10-12-6-4-5-7-15(12)27-16)21-13-8-9-14(20(25)26)22-18(13)23-19;1-10(2)23(3)18-16(11-4-7-14-15(8-11)27-9-26-14)20-12-5-6-13(19(24)25)21-17(12)22-18;19-12-3-1-11(2-4-12)15-18(24-7-9-26-10-8-24)23-17-14(21-15)6-5-13(22-17)16(20)25;1-10(2)23(3)17-15(11-4-6-12(19)7-5-11)20-13-8-9-14(18(24)25)21-16(13)22-17;1-10(2)26(3)17-14(11-5-4-8-18-9-11)19-12-6-7-13(20-15(12)21-17)16-22-24-25-23-16;1-2-11-14(9-3-5-10(17)6-4-9)18-12-7-8-13(16(21)22)20-15(12)19-11/h3-11H,1-2H3,(H,28,29);4-11H,1-3H3,(H,25,26);4-8,10H,9H2,1-3H3,(H,24,25);1-6H,7-10H2,(H2,20,25);4-10H,1-3H3,(H,24,25);4-10H,1-3H3,(H,22,23,24,25);3-8H,2H2,1H3,(H,21,22)
• InChIKey: FPBLJSXUPJBALC-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 650.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.54
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine (CID 158099367) is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine is CC(C)N(C)c1nc2nc(-c3nn[nH]n3)ccc2nc1-c1cccnc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.CCc1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.COc1cc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2nc1C(=O)O.NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2n1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine?

The InChIKey is FPBLJSXUPJBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3.C20H18N4O3.C19H18N4O4.C18H16FN5O2.C18H17FN4O2.C17H17N9.C16H12FN3O2/c1-27(14-4-3-9-23-11-14)20-17(12-5-7-13(22)8-6-12)24-15-10-16(30-2)18(21(28)29)25-19(15)26-20;1-11(2)24(3)19-17(16-10-12-6-4-5-7-15(12)27-16)21-13-8-9-14(20(25)26)22-18(13)23-19;1-10(2)23(3)18-16(11-4-7-14-15(8-11)27-9-26-14)20-12-5-6-13(19(24)25)21-17(12)22-18;19-12-3-1-11(2-4-12)15-18(24-7-9-26-10-8-24)23-17-14(21-15)6-5-13(22-17)16(20)25;1-10(2)23(3)17-15(11-4-6-12(19)7-5-11)20-13-8-9-14(18(24)25)21-16(13)22-17;1-10(2)26(3)17-14(11-5-4-8-18-9-11)19-12-6-7-13(20-15(12)21-17)16-22-24-25-23-16;1-2-11-14(9-3-5-10(17)6-4-9)18-12-7-8-13(16(21)22)20-15(12)19-11/h3-11H,1-2H3,(H,28,29);4-11H,1-3H3,(H,25,26);4-8,10H,9H2,1-3H3,(H,24,25);1-6H,7-10H2,(H2,20,25);4-10H,1-3H3,(H,24,25);4-10H,1-3H3,(H,22,23,24,25);3-8H,2H2,1H3,(H,21,22).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine?

2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine has a molecular weight of 2472.54 g/mol, XLogP of 20.99, 27 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 158099367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).