4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C112H125F2N23O12S5 — CID 158043512

About 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine

4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158043512) has the molecular formula C112H125F2N23O12S5 and a molecular weight of 2183.71 g/mol. Its IUPAC name is 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• PubChem CID: 158043512
• Molecular Formula: C112H125F2N23O12S5
• Molecular Weight: 2183.71 g/mol
• Exact Mass: 2181.84
• IUPAC Name: 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• SMILES: CNS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(=O)CO)c3)cc3ccncc23)CC1.Cc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCC4)CC3)c3cnccc3c2)ccc1F
• InChI: InChI=1S/C27H30FN5O2S.C23H26N4O4S.C22H22FN5O2S.C21H24N4O2S.C19H23N5O2S/c28-26-4-3-20(15-23(26)18-29)22-16-21-5-8-30-19-25(21)27(17-22)31-24-6-11-33(12-7-24)36(34,35)14-13-32-9-1-2-10-32;1-32(30,31)27-9-6-19(7-10-27)25-22-13-18(11-17-5-8-24-14-21(17)22)16-3-2-4-20(12-16)26-23(29)15-28;1-25-31(29,30)28-8-5-19(6-9-28)27-22-12-17(11-16-4-7-26-14-20(16)22)15-2-3-21(23)18(10-15)13-24;1-15-3-4-17(13-23-15)18-11-16-5-8-22-14-20(16)21(12-18)24-19-6-9-25(10-7-19)28(2,26)27;1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h3-5,8,15-17,19,24,31H,1-2,6-7,9-14H2;2-5,8,11-14,19,25,28H,6-7,9-10,15H2,1H3,(H,26,29);2-4,7,10-12,14,19,25,27H,5-6,8-9H2,1H3;3-5,8,11-14,19,24H,6-7,9-10H2,1-2H3;3,6,9-13,17,22H,4-5,7-8H2,1-2H3
• InChIKey: FIQFRDQXYKITFZ-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 454.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.71
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The IUPAC name of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158043512) is 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

What is the SMILES notation for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The canonical SMILES for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CNS(=O)(=O)N1CCC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NC(=O)CO)c3)cc3ccncc23)CC1.Cc1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.Cn1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cn1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCC4)CC3)c3cnccc3c2)ccc1F.

What is the InChIKey of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The InChIKey is FIQFRDQXYKITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2S.C23H26N4O4S.C22H22FN5O2S.C21H24N4O2S.C19H23N5O2S/c28-26-4-3-20(15-23(26)18-29)22-16-21-5-8-30-19-25(21)27(17-22)31-24-6-11-33(12-7-24)36(34,35)14-13-32-9-1-2-10-32;1-32(30,31)27-9-6-19(7-10-27)25-22-13-18(11-17-5-8-24-14-21(17)22)16-3-2-4-20(12-16)26-23(29)15-28;1-25-31(29,30)28-8-5-19(6-9-28)27-22-12-17(11-16-4-7-26-14-20(16)22)15-2-3-21(23)18(10-15)13-24;1-15-3-4-17(13-23-15)18-11-16-5-8-22-14-20(16)21(12-18)24-19-6-9-25(10-7-19)28(2,26)27;1-23-13-16(11-21-23)15-9-14-3-6-20-12-18(14)19(10-15)22-17-4-7-24(8-5-17)27(2,25)26/h3-5,8,15-17,19,24,31H,1-2,6-7,9-14H2;2-5,8,11-14,19,25,28H,6-7,9-10,15H2,1H3,(H,26,29);2-4,7,10-12,14,19,25,27H,5-6,8-9H2,1H3;3-5,8,11-14,19,24H,6-7,9-10H2,1-2H3;3,6,9-13,17,22H,4-5,7-8H2,1-2H3.

What are the key properties of 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 2183.71 g/mol, XLogP of 16.05, 26 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(3-cyano-4-fluorophenyl)isoquinolin-8-yl]amino]-N-methylpiperidine-1-sulfonamide;2-fluoro-5-[8-[[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-hydroxy-N-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158043512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).