3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C85H57BrCl4N30O4 — CID 158927815

About 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 158927815) has the molecular formula C85H57BrCl4N30O4 and a molecular weight of 1784.31 g/mol. Its IUPAC name is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 158927815
• Molecular Formula: C85H57BrCl4N30O4
• Molecular Weight: 1784.31 g/mol
• Exact Mass: 1780.31
• IUPAC Name: 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ccc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncoc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-n2cccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2ccc3c(=O)[nH]ccc3c2)[nH]c1=O
• InChI: InChI=1S/C19H14N4O2.C18H11ClN6.C17H12ClN7.C16H10ClN7O.C15H10BrClN6O/c20-17-19(25)23-16(15(22-17)11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-21-18(14)24;19-13-9-12(8-11-4-3-5-22-15(11)13)16-18(25-6-1-2-7-25)24-17(21)14(10-20)23-16;1-25-5-3-12(24-25)16-15(22-13(8-19)17(20)23-16)10-6-9-2-4-21-14(9)11(18)7-10;1-24-3-2-10(23-24)15-13(21-11(6-18)16(19)22-15)8-4-9(17)14-12(5-8)25-7-20-14;1-23-3-2-9(22-23)13-11(20-14(16)15(18)21-13)7-4-8(17)12-10(5-7)24-6-19-12/h1-10H,(H2,20,22)(H,21,24)(H,23,25);1-9H,(H2,21,24);2-7,21H,1H3,(H2,20,23);2-5,7H,1H3,(H2,19,22);2-6H,1H3,(H2,18,21)
• InChIKey: JIQWYIRXEOPEPV-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 522.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.31
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 158927815) is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ccc3c2)n1.Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncoc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-n2cccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2ccc3c(=O)[nH]ccc3c2)[nH]c1=O.

What is the InChIKey of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is JIQWYIRXEOPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C18H11ClN6.C17H12ClN7.C16H10ClN7O.C15H10BrClN6O/c20-17-19(25)23-16(15(22-17)11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-21-18(14)24;19-13-9-12(8-11-4-3-5-22-15(11)13)16-18(25-6-1-2-7-25)24-17(21)14(10-20)23-16;1-25-5-3-12(24-25)16-15(22-13(8-19)17(20)23-16)10-6-9-2-4-21-14(9)11(18)7-10;1-24-3-2-10(23-24)15-13(21-11(6-18)16(19)22-15)8-4-9(17)14-12(5-8)25-7-20-14;1-23-3-2-9(22-23)13-11(20-14(16)15(18)21-13)7-4-8(17)12-10(5-7)24-6-19-12/h1-10H,(H2,20,22)(H,21,24)(H,23,25);1-9H,(H2,21,24);2-7,21H,1H3,(H2,20,23);2-5,7H,1H3,(H2,19,22);2-6H,1H3,(H2,18,21).

What are the key properties of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 1784.31 g/mol, XLogP of 15.73, 10 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-pyrrol-1-ylpyrazine-2-carbonitrile;6-(5-amino-6-oxo-3-phenyl-1H-pyrazin-2-yl)-2H-isoquinolin-1-one;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 158927815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).