5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine

C112H109Cl5N32S5 — CID 160703128

About 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine (PubChem CID 160703128) has the molecular formula C112H109Cl5N32S5 and a molecular weight of 2240.93 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine
• PubChem CID: 160703128
• Molecular Formula: C112H109Cl5N32S5
• Molecular Weight: 2240.93 g/mol
• Exact Mass: 2236.66
• IUPAC Name: 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine
• SMILES: CCN(CC)CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(SCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(SCC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(SCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
• InChI: InChI=1S/C24H25ClN6S.C23H26ClN7S.C22H18ClN7S.C22H21ClN6S.C21H19ClN6S/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;1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-29-9-7-17(28-29)20-19(15-10-14-6-3-8-25-18(14)16(23)11-15)27-22(21(24)26-20)30-12-13-4-2-5-13;1-28-8-6-16(27-28)19-18(26-21(20(23)25-19)29-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28);6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27);3-12H,1-2H3,(H2,24,26);3,6-11,13H,2,4-5,12H2,1H3,(H2,24,26);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,25)
• InChIKey: RQWNRFMKPREDCF-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 420.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.93
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine?

The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine (CID 160703128) is 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine.

What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine?

The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine is CCN(CC)CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(SCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(SCC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(SCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Sc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1.

What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine?

The InChIKey is RQWNRFMKPREDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6S.C23H26ClN7S.C22H18ClN7S.C22H21ClN6S.C21H19ClN6S/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;1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16;1-29-8-5-15(12-29)31-22-21(24)26-20(17-6-9-30(2)28-17)19(27-22)14-10-13-4-3-7-25-18(13)16(23)11-14;1-29-9-7-17(28-29)20-19(15-10-14-6-3-8-25-18(14)16(23)11-15)27-22(21(24)26-20)30-12-13-4-2-5-13;1-28-8-6-16(27-28)19-18(26-21(20(23)25-19)29-11-12-4-5-12)14-9-13-3-2-7-24-17(13)15(22)10-14/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28);6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27);3-12H,1-2H3,(H2,24,26);3,6-11,13H,2,4-5,12H2,1H3,(H2,24,26);2-3,6-10,12H,4-5,11H2,1H3,(H2,23,25).

What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine?

5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine has a molecular weight of 2240.93 g/mol, XLogP of 25.63, 28 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloroquinolin-6-yl)-3-(cyclobutylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 160703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).