3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C34H25BrCl2N12 — CID 160738845

About 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 160738845) has the molecular formula C34H25BrCl2N12 and a molecular weight of 752.47 g/mol. Its IUPAC name is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 160738845
• Molecular Formula: C34H25BrCl2N12
• Molecular Weight: 752.47 g/mol
• Exact Mass: 750.09
• IUPAC Name: 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C17H12BrClN6.C17H13ClN6/c1-25-6-4-12(24-25)15-14(22-16(18)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10;1-24-6-4-13(23-24)17-16(21-9-14(19)22-17)11-7-10-3-2-5-20-15(10)12(18)8-11/h2-8H,1H3,(H2,20,23);2-9H,1H3,(H2,19,22)
• InChIKey: RVHNTYPISQEMBV-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 165.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	752.47
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 160738845) is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is RVHNTYPISQEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN6.C17H13ClN6/c1-25-6-4-12(24-25)15-14(22-16(18)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10;1-24-6-4-13(23-24)17-16(21-9-14(19)22-17)11-7-10-3-2-5-20-15(10)12(18)8-11/h2-8H,1H3,(H2,20,23);2-9H,1H3,(H2,19,22).

What are the key properties of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 752.47 g/mol, XLogP of 7.42, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 160738845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).