N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide

C116H97Cl5N38O11S5 — CID 161366086

About N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide

N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide (PubChem CID 161366086) has the molecular formula C116H97Cl5N38O11S5 and a molecular weight of 2536.91 g/mol. Its IUPAC name is N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide
• PubChem CID: 161366086
• Molecular Formula: C116H97Cl5N38O11S5
• Molecular Weight: 2536.91 g/mol
• Exact Mass: 2532.52
• IUPAC Name: N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide
• SMILES: Cn1ccc(-c2nc(NS(=O)(=O)CCC3CCCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)CCC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)Cc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(C)(=O)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(CS(=O)(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)c1
• InChI: InChI=1S/C25H24ClN7O3S.C25H24ClN7O2S.C24H19ClN8O2S.C23H16ClN9O2S.C19H14ClN7O2S/c1-33-9-4-20(31-33)24-23(18-13-17-3-2-8-28-22(17)19(26)14-18)29-21(15-27)25(30-24)32-37(34,35)12-7-16-5-10-36-11-6-16;1-33-11-8-20(31-33)24-23(18-13-17-7-4-10-28-22(17)19(26)14-18)29-21(15-27)25(30-24)32-36(34,35)12-9-16-5-2-3-6-16;1-32-8-5-15(13-32)14-36(34,35)31-24-20(12-26)28-22(23(29-24)19-6-9-33(2)30-19)17-10-16-4-3-7-27-21(16)18(25)11-17;1-33-6-4-18(31-33)22-21(16-7-15-3-2-5-28-20(15)17(24)8-16)29-19(9-25)23(30-22)32-36(34,35)12-14-10-26-13-27-11-14;1-27-7-5-14(25-27)18-17(23-15(10-21)19(24-18)26-30(2,28)29)12-8-11-4-3-6-22-16(11)13(20)9-12/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3,(H,30,32);4,7-8,10-11,13-14,16H,2-3,5-6,9,12H2,1H3,(H,30,32);3-11,13H,14H2,1-2H3,(H,29,31);2-8,10-11,13H,12H2,1H3,(H,30,32);3-9H,1-2H3,(H,24,26)
• InChIKey: VPVDYYCAPFPCQI-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 672.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.91
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide?

The IUPAC name of N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide (CID 161366086) is N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide.

What is the SMILES notation for N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide?

The canonical SMILES for N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide is Cn1ccc(-c2nc(NS(=O)(=O)CCC3CCCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)CCC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)Cc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(C)(=O)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(CS(=O)(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)c1.

What is the InChIKey of N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide?

The InChIKey is VPVDYYCAPFPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O3S.C25H24ClN7O2S.C24H19ClN8O2S.C23H16ClN9O2S.C19H14ClN7O2S/c1-33-9-4-20(31-33)24-23(18-13-17-3-2-8-28-22(17)19(26)14-18)29-21(15-27)25(30-24)32-37(34,35)12-7-16-5-10-36-11-6-16;1-33-11-8-20(31-33)24-23(18-13-17-7-4-10-28-22(17)19(26)14-18)29-21(15-27)25(30-24)32-36(34,35)12-9-16-5-2-3-6-16;1-32-8-5-15(13-32)14-36(34,35)31-24-20(12-26)28-22(23(29-24)19-6-9-33(2)30-19)17-10-16-4-3-7-27-21(16)18(25)11-17;1-33-6-4-18(31-33)22-21(16-7-15-3-2-5-28-20(15)17(24)8-16)29-19(9-25)23(30-22)32-36(34,35)12-14-10-26-13-27-11-14;1-27-7-5-14(25-27)18-17(23-15(10-21)19(24-18)26-30(2,28)29)12-8-11-4-3-6-22-16(11)13(20)9-12/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3,(H,30,32);4,7-8,10-11,13-14,16H,2-3,5-6,9,12H2,1H3,(H,30,32);3-11,13H,14H2,1-2H3,(H,29,31);2-8,10-11,13H,12H2,1H3,(H,30,32);3-9H,1-2H3,(H,24,26).

What are the key properties of N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide?

N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide has a molecular weight of 2536.91 g/mol, XLogP of 19.35, 30 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide is sourced from PubChem (CID 161366086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).