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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine

C102H125N33O11S — CID 159884582

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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
SMILESCC(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(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.C18H27N5O2S.C17H17N9.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;1-12(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;1-10(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;1-11(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);10-13,19H,5-9H2,1-4H3;4-10H,1-3H3,(H,22,23,24,25);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)
InChIKeyNTYRXHLPVJVLJY-UHFFFAOYSA-N
MW2021.41 g/mol
LogP14.46
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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine

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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine (PubChem CID 159884582) has the molecular formula C102H125N33O11S and a molecular weight of 2021.41 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;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;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 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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
PubChem CID159884582
Molecular FormulaC102H125N33O11S
Molecular Weight2021.41 g/mol
Exact Mass2020.00
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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine
SMILESCC(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(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.C18H27N5O2S.C17H17N9.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;1-12(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;1-10(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;1-11(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);10-13,19H,5-9H2,1-4H3;4-10H,1-3H3,(H,22,23,24,25);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)
InChIKeyNTYRXHLPVJVLJY-UHFFFAOYSA-N
XLogP14.46
TPSA548.82 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002021.41
LogP ≤ 514.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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

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;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;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-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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine (CID 159884582) 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;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;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-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;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;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-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;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;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(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;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;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 NTYRXHLPVJVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3.C18H27N5O2S.C17H17N9.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;1-12(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;1-10(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;1-11(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);10-13,19H,5-9H2,1-4H3;4-10H,1-3H3,(H,22,23,24,25);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;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;N-methyl-N-propan-2-yl-2-pyridin-3-yl-6-(2H-tetrazol-5-yl)pyrido[2,3-b]pyrazin-3-amine?
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;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;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 2021.41 g/mol, XLogP of 14.46, 24 rotatable bonds, 6 hydrogen bond donors, and 38 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;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;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 159884582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).