N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine

C95H79Cl5N32O3S — CID 159343012

About N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine

N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine (PubChem CID 159343012) has the molecular formula C95H79Cl5N32O3S and a molecular weight of 1926.23 g/mol. Its IUPAC name is N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 159343012
• Molecular Formula: C95H79Cl5N32O3S
• Molecular Weight: 1926.23 g/mol
• Exact Mass: 1922.52
• IUPAC Name: N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine
• SMILES: CN1CCN(CCOc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cc1ccn(-c2nc(NCc3ccccc3)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1nnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)o1.Cc1nnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncoc3c2)n1
• InChI: InChI=1S/C24H27ClN8O.C24H19ClN6.C16H11ClN6O.C16H11ClN6S.C15H11ClN6O/c1-31-8-10-33(11-9-31)12-13-34-24-23(26)28-22(19-5-7-32(2)30-19)21(29-24)17-14-16-4-3-6-27-20(16)18(25)15-17;1-16-9-11-31(30-16)24-23(19-12-18-8-5-10-26-22(18)20(25)13-19)28-15-21(29-24)27-14-17-6-3-2-4-7-17;2*1-8-22-23-16(24-8)15-14(20-7-12(18)21-15)10-5-9-3-2-4-19-13(9)11(17)6-10;1-22-3-2-10(21-22)15-13(18-6-12(17)20-15)8-4-9(16)14-11(5-8)23-7-19-14/h3-7,14-15H,8-13H2,1-2H3,(H2,26,28);2-13,15H,14H2,1H3,(H,27,29);2*2-7H,1H3,(H2,18,21);2-7H,1H3,(H2,17,20)
• InChIKey: LGJGFLSLDCPJLR-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 456.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.23
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine (CID 159343012) is N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine is CN1CCN(CCOc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cc1ccn(-c2nc(NCc3ccccc3)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1nnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)o1.Cc1nnc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncoc3c2)n1.

What is the InChIKey of N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine?

The InChIKey is LGJGFLSLDCPJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O.C24H19ClN6.C16H11ClN6O.C16H11ClN6S.C15H11ClN6O/c1-31-8-10-33(11-9-31)12-13-34-24-23(26)28-22(19-5-7-32(2)30-19)21(29-24)17-14-16-4-3-6-27-20(16)18(25)15-17;1-16-9-11-31(30-16)24-23(19-12-18-8-5-10-26-22(18)20(25)13-19)28-15-21(29-24)27-14-17-6-3-2-4-7-17;2*1-8-22-23-16(24-8)15-14(20-7-12(18)21-15)10-5-9-3-2-4-19-13(9)11(17)6-10;1-22-3-2-10(21-22)15-13(18-6-12(17)20-15)8-4-9(16)14-11(5-8)23-7-19-14/h3-7,14-15H,8-13H2,1-2H3,(H2,26,28);2-13,15H,14H2,1H3,(H,27,29);2*2-7H,1H3,(H2,18,21);2-7H,1H3,(H2,17,20).

What are the key properties of N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine?

N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine has a molecular weight of 1926.23 g/mol, XLogP of 18.37, 17 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 159343012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).