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

C24H25ClN6S — CID 137431256

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

5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431256) has the molecular formula C24H25ClN6S and a molecular weight of 465.03 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 137431256
• Molecular Formula: C24H25ClN6S
• Molecular Weight: 465.03 g/mol
• Exact Mass: 464.15
• IUPAC Name: 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(SCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C24H25ClN6S/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28)
• InChIKey: MGYWIQCKEKSZEL-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.03
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431256) is 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

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

The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(SCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.

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

The InChIKey is MGYWIQCKEKSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6S/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28).

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

5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 465.03 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).