3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

C120H122F3N29O18 — CID 159832937

About 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 159832937) has the molecular formula C120H122F3N29O18 and a molecular weight of 2315.47 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 159832937
• Molecular Formula: C120H122F3N29O18
• Molecular Weight: 2315.47 g/mol
• Exact Mass: 2313.95
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)N(C)c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1cccnc1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1C1CCCCC1.CC(C)c1nc2ncc(C(=O)O)cc2nc1N(C)C(C)C.CCc1nc2cc([N+](=O)[O-])cnc2nc1-c1ccc(F)cc1.Cc1nc2nc(-c3ccc4c(c3)OCO4)c(N(C)C(C)C)nc2cc1C(=O)O.O=C(O)C1=Nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2C1.O=C(O)c1cnc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1
• InChI: InChI=1S/C20H20N4O4.C18H15FN4O3.C18H24N4O2.C17H15FN4O2.C17H17N5O3.C15H11FN4O2.C15H20N4O2/c1-10(2)24(4)19-17(12-5-6-15-16(7-12)28-9-27-15)23-18-14(22-19)8-13(20(25)26)11(3)21-18;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;1-11(2)22(3)17-15(12-7-5-4-6-8-12)21-16-14(20-17)9-13(10-19-16)18(23)24;18-11-5-3-10(4-6-11)14-16(22-7-1-2-8-22)20-12-9-13(17(23)24)19-15(12)21-14;1-9(2)22(3)15-13(10-5-4-6-18-8-10)20-14-12(19-15)7-11(17(24)25)16(23)21-14;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;1-8(2)12-14(19(5)9(3)4)17-11-6-10(15(20)21)7-16-13(11)18-12/h5-8,10H,9H2,1-4H3,(H,25,26);1-4,9-10H,5-8H2,(H,24,25);9-12H,4-8H2,1-3H3,(H,23,24);3-6H,1-2,7-9H2,(H,23,24);4-9H,1-3H3,(H,24,25)(H,20,21,23);3-8H,2H2,1H3;6-9H,1-5H3,(H,20,21)
• InChIKey: NNRPGMLNHJXTRA-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 617.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2315.47
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

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-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (CID 159832937) is 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

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

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)c(=O)[nH]c2nc1-c1cccnc1.CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1C1CCCCC1.CC(C)c1nc2ncc(C(=O)O)cc2nc1N(C)C(C)C.CCc1nc2cc([N+](=O)[O-])cnc2nc1-c1ccc(F)cc1.Cc1nc2nc(-c3ccc4c(c3)OCO4)c(N(C)C(C)C)nc2cc1C(=O)O.O=C(O)C1=Nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2C1.O=C(O)c1cnc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1.

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

The InChIKey is NNRPGMLNHJXTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4.C18H15FN4O3.C18H24N4O2.C17H15FN4O2.C17H17N5O3.C15H11FN4O2.C15H20N4O2/c1-10(2)24(4)19-17(12-5-6-15-16(7-12)28-9-27-15)23-18-14(22-19)8-13(20(25)26)11(3)21-18;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;1-11(2)22(3)17-15(12-7-5-4-6-8-12)21-16-14(20-17)9-13(10-19-16)18(23)24;18-11-5-3-10(4-6-11)14-16(22-7-1-2-8-22)20-12-9-13(17(23)24)19-15(12)21-14;1-9(2)22(3)15-13(10-5-4-6-18-8-10)20-14-12(19-15)7-11(17(24)25)16(23)21-14;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;1-8(2)12-14(19(5)9(3)4)17-11-6-10(15(20)21)7-16-13(11)18-12/h5-8,10H,9H2,1-4H3,(H,25,26);1-4,9-10H,5-8H2,(H,24,25);9-12H,4-8H2,1-3H3,(H,23,24);3-6H,1-2,7-9H2,(H,23,24);4-9H,1-3H3,(H,24,25)(H,20,21,23);3-8H,2H2,1H3;6-9H,1-5H3,(H,20,21).

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

3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 2315.47 g/mol, XLogP of 19.76, 25 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]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;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-6-oxo-3-pyridin-3-yl-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 159832937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).