3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C96H69Cl4F2N31OS2 — CID 157183245

About 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 157183245) has the molecular formula C96H69Cl4F2N31OS2 and a molecular weight of 1916.77 g/mol. Its IUPAC name is 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• PubChem CID: 157183245
• Molecular Formula: C96H69Cl4F2N31OS2
• Molecular Weight: 1916.77 g/mol
• Exact Mass: 1913.45
• IUPAC Name: 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• SMILES: Cc1cc(C)c2cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc(Cl)c2n1.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccc(F)cc3)c(C)c12.Cc1nc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc2s1.Cc1nc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc2s1.Cn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1
• InChI: InChI=1S/C22H15ClFN5.C22H16ClN5.C18H14FN7O.2C17H12ClN7S/c1-11-7-8-27-21-16(23)9-15(12(2)18(11)21)20-19(13-3-5-14(24)6-4-13)29-22(26)17(10-25)28-20;1-12-8-13(2)26-21-16(12)9-15(10-17(21)23)20-19(14-6-4-3-5-7-14)28-22(25)18(11-24)27-20;1-26-6-4-12(25-26)15-14(23-16(18(21)27)17(20)24-15)10-7-9-3-2-5-22-13(9)11(19)8-10;2*1-8-21-15-10(18)5-9(6-13(15)26-8)14-16(11-3-4-25(2)24-11)23-17(20)12(7-19)22-14/h3-9H,1-2H3,(H2,26,29);3-10H,1-2H3,(H2,25,28);2-8H,1H3,(H2,20,24)(H2,21,27);2*3-6H,1-2H3,(H2,20,23)
• InChIKey: AOUPQFBCUNOYKO-UHFFFAOYSA-N
• XLogP: 19.36
• TPSA: 515.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1916.77
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 157183245) is 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cc1cc(C)c2cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc(Cl)c2n1.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccc(F)cc3)c(C)c12.Cc1nc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc2s1.Cc1nc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc2s1.Cn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1.

What is the InChIKey of 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The InChIKey is AOUPQFBCUNOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5.C22H16ClN5.C18H14FN7O.2C17H12ClN7S/c1-11-7-8-27-21-16(23)9-15(12(2)18(11)21)20-19(13-3-5-14(24)6-4-13)29-22(26)17(10-25)28-20;1-12-8-13(2)26-21-16(12)9-15(10-17(21)23)20-19(14-6-4-3-5-7-14)28-22(25)18(11-24)27-20;1-26-6-4-12(25-26)15-14(23-16(18(21)27)17(20)24-15)10-7-9-3-2-5-22-13(9)11(19)8-10;2*1-8-21-15-10(18)5-9(6-13(15)26-8)14-16(11-3-4-25(2)24-11)23-17(20)12(7-19)22-14/h3-9H,1-2H3,(H2,26,29);3-10H,1-2H3,(H2,25,28);2-8H,1H3,(H2,20,24)(H2,21,27);2*3-6H,1-2H3,(H2,20,23).

What are the key properties of 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 1916.77 g/mol, XLogP of 19.36, 11 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 157183245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).