3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

C98H76F2N22O7 — CID 161223681

IUPAC3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCOc1ccnc2ccc(-c3nc(C#N)c(N)nc3-c3ccc(C)o3)cc12.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3c(c2)N(Cc2ccc(F)cc2)CC(=O)N3)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(CCc4ccc(F)cc4)c3c2)o1.Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1
InChIInChI=1S/C27H20FN5O.C26H22N6O2.C25H19FN6O2.C20H15N5O2/c1-16-2-11-24(34-16)26-25(32-23(15-29)27(30)33-26)19-7-10-22-21(14-19)18(12-13-31-22)6-3-17-4-8-20(28)9-5-17;1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20;1-14-2-9-21(34-14)24-23(30-19(11-27)25(28)31-24)16-5-8-18-20(10-16)32(13-22(33)29-18)12-15-3-6-17(26)7-4-15;1-11-3-6-17(27-11)19-18(24-15(10-21)20(22)25-19)12-4-5-14-13(9-12)16(26-2)7-8-23-14/h2,4-5,7-14H,3,6H2,1H3,(H2,30,33);3-13H,14H2,1-2H3,(H2,27,32)(H,29,33);2-10H,12-13H2,1H3,(H2,28,31)(H,29,33);3-9H,1-2H3,(H2,22,25)
InChIKeyUXVORCRHSPCDTH-UHFFFAOYSA-N
MW1711.83 g/mol
LogP18.10
Rot. Bonds17

About 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 161223681) has the molecular formula C98H76F2N22O7 and a molecular weight of 1711.83 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID161223681
Molecular FormulaC98H76F2N22O7
Molecular Weight1711.83 g/mol
Exact Mass1710.62
IUPAC Name3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCOc1ccnc2ccc(-c3nc(C#N)c(N)nc3-c3ccc(C)o3)cc12.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3c(c2)N(Cc2ccc(F)cc2)CC(=O)N3)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(CCc4ccc(F)cc4)c3c2)o1.Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1
InChIInChI=1S/C27H20FN5O.C26H22N6O2.C25H19FN6O2.C20H15N5O2/c1-16-2-11-24(34-16)26-25(32-23(15-29)27(30)33-26)19-7-10-22-21(14-19)18(12-13-31-22)6-3-17-4-8-20(28)9-5-17;1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20;1-14-2-9-21(34-14)24-23(30-19(11-27)25(28)31-24)16-5-8-18-20(10-16)32(13-22(33)29-18)12-15-3-6-17(26)7-4-15;1-11-3-6-17(27-11)19-18(24-15(10-21)20(22)25-19)12-4-5-14-13(9-12)16(26-2)7-8-23-14/h2,4-5,7-14H,3,6H2,1H3,(H2,30,33);3-13H,14H2,1-2H3,(H2,27,32)(H,29,33);2-10H,12-13H2,1H3,(H2,28,31)(H,29,33);3-9H,1-2H3,(H2,22,25)
InChIKeyUXVORCRHSPCDTH-UHFFFAOYSA-N
XLogP18.10
TPSA453.36 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.83
LogP ≤ 518.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-[6-[5-amino-6-cyano-3-(5-methylfuran-2-yl)pyrazin-2-yl]quinolin-4-yl]-4-fluorobenzamide
CID 137430647
3-Amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 137430648
(Z)-3-(4-aminophenyl)-N-[[5-[5-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[5-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(Z)-3-(6-amino-3-pyridinyl)-N-[[5-[5-[(3S)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[5-[(3S)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 157153475
3-Amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 158004215
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-8-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(2,2,2-trifluoroethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;5-benzyl-6-(1,4-diazepan-1-yl)-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;5-benzyl-3-methyl-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 158403791
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-8-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(2,2,2-trifluoroethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;5-benzyl-3-methyl-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 159388870
3-Amino-6-[4-[2-(4-fluorophenyl)-2-oxoethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 160127650
2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 160699930
6-[(3R)-3-aminopiperidin-1-yl]-5-butyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-butyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(4,4,4-trifluorobutyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-(3-methylbut-2-enyl)-4-oxo-3-(quinolin-6-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 161559874
3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 137430645
N-[3-(5-methylfuran-2-yl)-8-oxo-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-7-yl]benzamide
CID 154656460
3-(5-methylfuran-2-yl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657178

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 161223681) is 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is COc1ccnc2ccc(-c3nc(C#N)c(N)nc3-c3ccc(C)o3)cc12.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3c(c2)N(Cc2ccc(F)cc2)CC(=O)N3)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(CCc4ccc(F)cc4)c3c2)o1.Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2N)n1.
What is the InChIKey of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is UXVORCRHSPCDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O.C26H22N6O2.C25H19FN6O2.C20H15N5O2/c1-16-2-11-24(34-16)26-25(32-23(15-29)27(30)33-26)19-7-10-22-21(14-19)18(12-13-31-22)6-3-17-4-8-20(28)9-5-17;1-15-5-3-7-19(30-15)14-29-26(33)24-25(27)32-23(21-11-8-16(2)34-21)22(31-24)18-9-10-20-17(13-18)6-4-12-28-20;1-14-2-9-21(34-14)24-23(30-19(11-27)25(28)31-24)16-5-8-18-20(10-16)32(13-22(33)29-18)12-15-3-6-17(26)7-4-15;1-11-3-6-17(27-11)19-18(24-15(10-21)20(22)25-19)12-4-5-14-13(9-12)16(26-2)7-8-23-14/h2,4-5,7-14H,3,6H2,1H3,(H2,30,33);3-13H,14H2,1-2H3,(H2,27,32)(H,29,33);2-10H,12-13H2,1H3,(H2,28,31)(H,29,33);3-9H,1-2H3,(H2,22,25).
What are the key properties of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 1711.83 g/mol, XLogP of 18.10, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 161223681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).