3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C₈₆H₅₄Br₂Cl₅FN₂₆O₂S — CID 158316077

About 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 158316077) has the molecular formula C₈₆H₅₄Br₂Cl₅FN₂₆O₂S and a molecular weight of 1871.70 g/mol. Its IUPAC name is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 158316077
• Molecular Formula: C₈₆H₅₄Br₂Cl₅FN₂₆O₂S
• Molecular Weight: 1871.70 g/mol
• Exact Mass: 1866.14
• IUPAC Name: 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ccc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.N#Cc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1Br
• InChI: InChI=1S/C20H11ClFN5.C18H10ClN5O.C17H10BrClN4O.C16H13ClN6.C15H10BrClN6S/c21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19;19-12-6-11(7-14-17(12)22-9-25-14)16-15(10-4-2-1-3-5-10)24-18(21)13(8-20)23-16;18-16-17(20)23-13(9-4-2-1-3-5-9)14(22-16)10-6-11(19)15-12(7-10)24-8-21-15;1-23-5-3-12(22-23)16-15(20-8-13(18)21-16)10-6-9-2-4-19-14(9)11(17)7-10;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/h1-9H,(H2,24,27);1-7,9H,(H2,21,24);1-8H,(H2,20,23);2-8,19H,1H3,(H2,18,21);2-6H,1H3,(H2,18,21)
• InChIKey: GOGVPBHWHQDCOW-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 435.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.70
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 158316077) is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-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-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ccc3c2)n1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.N#Cc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1Br.

What is the InChIKey of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is GOGVPBHWHQDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN5.C18H10ClN5O.C17H10BrClN4O.C16H13ClN6.C15H10BrClN6S/c21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19;19-12-6-11(7-14-17(12)22-9-25-14)16-15(10-4-2-1-3-5-10)24-18(21)13(8-20)23-16;18-16-17(20)23-13(9-4-2-1-3-5-9)14(22-16)10-6-11(19)15-12(7-10)24-8-21-15;1-23-5-3-12(22-23)16-15(20-8-13(18)21-16)10-6-9-2-4-19-14(9)11(17)7-10;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/h1-9H,(H2,24,27);1-7,9H,(H2,21,24);1-8H,(H2,20,23);2-8,19H,1H3,(H2,18,21);2-6H,1H3,(H2,18,21).

What are the key properties of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 1871.70 g/mol, XLogP of 21.03, 10 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-bromo-5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 158316077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158316077 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.