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

C103H125FN32O11S — CID 162247400

IUPAC2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N(C)c1nc2nc(-c3nn[nH]n3)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2nc(C(N)=O)ccc2nc1N1CCCCC1.CNS(=O)(=O)c1ccc2nc(C3CCCCC3)c(N(C)C(C)C)nc2n1.Cc1cc2nc(N3CCOCC3)c(N(C)C(C)C)nc2nc1C(=O)O.Cc1nc2ccc(C(=O)O)nc2nc1N(C)C(C)C
InChIInChI=1S/C20H18N4O3.C18H17FN8.C18H27N5O2S.C17H24N6O.C17H23N5O3.C13H16N4O2/c1-11(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)27(3)18-15(11-4-6-12(19)7-5-11)20-13-8-9-14(21-16(13)22-18)17-23-25-26-24-17;1-12(2)23(4)18-16(13-8-6-5-7-9-13)20-14-10-11-15(21-17(14)22-18)26(24,25)19-3;1-11(2)22(3)16-17(23-9-5-4-6-10-23)20-13-8-7-12(14(18)24)19-15(13)21-16;1-10(2)21(4)15-16(22-5-7-25-8-6-22)18-12-9-11(3)13(17(23)24)19-14(12)20-15;1-7(2)17(4)12-8(3)14-9-5-6-10(13(18)19)15-11(9)16-12/h4-11H,1-3H3,(H,25,26);4-10H,1-3H3,(H,23,24,25,26);10-13,19H,5-9H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3,(H2,18,24);9-10H,5-8H2,1-4H3,(H,23,24);5-7H,1-4H3,(H,18,19)
InChIKeyZXNGOHDOPDEWFN-UHFFFAOYSA-N
MW2038.41 g/mol
LogP15.21
Rot. Bonds24

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

2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide (PubChem CID 162247400) has the molecular formula C103H125FN32O11S and a molecular weight of 2038.41 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide
PubChem CID162247400
Molecular FormulaC103H125FN32O11S
Molecular Weight2038.41 g/mol
Exact Mass2036.99
IUPAC Name2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N(C)c1nc2nc(-c3nn[nH]n3)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2nc(C(N)=O)ccc2nc1N1CCCCC1.CNS(=O)(=O)c1ccc2nc(C3CCCCC3)c(N(C)C(C)C)nc2n1.Cc1cc2nc(N3CCOCC3)c(N(C)C(C)C)nc2nc1C(=O)O.Cc1nc2ccc(C(=O)O)nc2nc1N(C)C(C)C
InChIInChI=1S/C20H18N4O3.C18H17FN8.C18H27N5O2S.C17H24N6O.C17H23N5O3.C13H16N4O2/c1-11(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)27(3)18-15(11-4-6-12(19)7-5-11)20-13-8-9-14(21-16(13)22-18)17-23-25-26-24-17;1-12(2)23(4)18-16(13-8-6-5-7-9-13)20-14-10-11-15(21-17(14)22-18)26(24,25)19-3;1-11(2)22(3)16-17(23-9-5-4-6-10-23)20-13-8-7-12(14(18)24)19-15(13)21-16;1-10(2)21(4)15-16(22-5-7-25-8-6-22)18-12-9-11(3)13(17(23)24)19-14(12)20-15;1-7(2)17(4)12-8(3)14-9-5-6-10(13(18)19)15-11(9)16-12/h4-11H,1-3H3,(H,25,26);4-10H,1-3H3,(H,23,24,25,26);10-13,19H,5-9H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3,(H2,18,24);9-10H,5-8H2,1-4H3,(H,23,24);5-7H,1-4H3,(H,18,19)
InChIKeyZXNGOHDOPDEWFN-UHFFFAOYSA-N
XLogP15.21
TPSA535.93 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.41
LogP ≤ 515.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide (CID 162247400) is 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide is CC(C)N(C)c1nc2nc(-c3nn[nH]n3)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2nc(C(N)=O)ccc2nc1N1CCCCC1.CNS(=O)(=O)c1ccc2nc(C3CCCCC3)c(N(C)C(C)C)nc2n1.Cc1cc2nc(N3CCOCC3)c(N(C)C(C)C)nc2nc1C(=O)O.Cc1nc2ccc(C(=O)O)nc2nc1N(C)C(C)C.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ZXNGOHDOPDEWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3.C18H17FN8.C18H27N5O2S.C17H24N6O.C17H23N5O3.C13H16N4O2/c1-11(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)27(3)18-15(11-4-6-12(19)7-5-11)20-13-8-9-14(21-16(13)22-18)17-23-25-26-24-17;1-12(2)23(4)18-16(13-8-6-5-7-9-13)20-14-10-11-15(21-17(14)22-18)26(24,25)19-3;1-11(2)22(3)16-17(23-9-5-4-6-10-23)20-13-8-7-12(14(18)24)19-15(13)21-16;1-10(2)21(4)15-16(22-5-7-25-8-6-22)18-12-9-11(3)13(17(23)24)19-14(12)20-15;1-7(2)17(4)12-8(3)14-9-5-6-10(13(18)19)15-11(9)16-12/h4-11H,1-3H3,(H,25,26);4-10H,1-3H3,(H,23,24,25,26);10-13,19H,5-9H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3,(H2,18,24);9-10H,5-8H2,1-4H3,(H,23,24);5-7H,1-4H3,(H,18,19).
What are the key properties of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide?
2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide has a molecular weight of 2038.41 g/mol, XLogP of 15.21, 24 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-N-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-sulfonamide;2-(4-fluorophenyl)-N-methyl-N-propan-2-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine;7-methyl-3-[methyl(propan-2-yl)amino]-2-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxylic acid;2-methyl-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-piperidin-1-ylpyrido[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 162247400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).