6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

C124H141F3N22O12S5 — CID 159230340

About 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile

6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (PubChem CID 159230340) has the molecular formula C124H141F3N22O12S5 and a molecular weight of 2348.96 g/mol. Its IUPAC name is 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
• PubChem CID: 159230340
• Molecular Formula: C124H141F3N22O12S5
• Molecular Weight: 2348.96 g/mol
• Exact Mass: 2346.97
• IUPAC Name: 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
• SMILES: CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(N)c(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(N)c(F)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4c(c3)CC(=O)N4)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCCC4)CC3)c3cnccc3c2)ccc1F.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c3cnccc3c2)ccc1F
• InChI: InChI=1S/C28H32FN5O2S.C27H30FN5O3S.C24H26N4O3S.C23H28N4O2S.C22H25FN4O2S/c29-27-5-4-21(16-24(27)19-30)23-17-22-6-9-31-20-26(22)28(18-23)32-25-7-12-34(13-8-25)37(35,36)15-14-33-10-2-1-3-11-33;28-26-2-1-20(15-23(26)18-29)22-16-21-3-6-30-19-25(21)27(17-22)31-24-4-7-33(8-5-24)37(34,35)14-11-32-9-12-36-13-10-32;1-2-32(30,31)28-9-6-20(7-10-28)26-23-13-18(12-17-5-8-25-15-21(17)23)16-3-4-22-19(11-16)14-24(29)27-22;1-3-30(28,29)27-10-7-20(8-11-27)26-23-14-19(13-18-6-9-25-15-21(18)23)17-4-5-22(24)16(2)12-17;1-2-30(28,29)27-9-6-18(7-10-27)26-22-13-17(11-16-5-8-25-14-19(16)22)15-3-4-21(24)20(23)12-15/h4-6,9,16-18,20,25,32H,1-3,7-8,10-15H2;1-3,6,15-17,19,24,31H,4-5,7-14H2;3-5,8,11-13,15,20,26H,2,6-7,9-10,14H2,1H3,(H,27,29);4-6,9,12-15,20,26H,3,7-8,10-11,24H2,1-2H3;3-5,8,11-14,18,26H,2,6-7,9-10,24H2,1H3
• InChIKey: KSUXWIPRYZURIC-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 455.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.96
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?

The IUPAC name of 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile (CID 159230340) is 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile.

What is the SMILES notation for 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?

The canonical SMILES for 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(N)c(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc(N)c(F)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccc4c(c3)CC(=O)N4)cc3ccncc23)CC1.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCCCC4)CC3)c3cnccc3c2)ccc1F.N#Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c3cnccc3c2)ccc1F.

What is the InChIKey of 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?

The InChIKey is KSUXWIPRYZURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2S.C27H30FN5O3S.C24H26N4O3S.C23H28N4O2S.C22H25FN4O2S/c29-27-5-4-21(16-24(27)19-30)23-17-22-6-9-31-20-26(22)28(18-23)32-25-7-12-34(13-8-25)37(35,36)15-14-33-10-2-1-3-11-33;28-26-2-1-20(15-23(26)18-29)22-16-21-3-6-30-19-25(21)27(17-22)31-24-4-7-33(8-5-24)37(34,35)14-11-32-9-12-36-13-10-32;1-2-32(30,31)28-9-6-20(7-10-28)26-23-13-18(12-17-5-8-25-15-21(17)23)16-3-4-22-19(11-16)14-24(29)27-22;1-3-30(28,29)27-10-7-20(8-11-27)26-23-14-19(13-18-6-9-25-15-21(18)23)17-4-5-22(24)16(2)12-17;1-2-30(28,29)27-9-6-18(7-10-27)26-22-13-17(11-16-5-8-25-14-19(16)22)15-3-4-21(24)20(23)12-15/h4-6,9,16-18,20,25,32H,1-3,7-8,10-15H2;1-3,6,15-17,19,24,31H,4-5,7-14H2;3-5,8,11-13,15,20,26H,2,6-7,9-10,14H2,1H3,(H,27,29);4-6,9,12-15,20,26H,3,7-8,10-11,24H2,1-2H3;3-5,8,11-14,18,26H,2,6-7,9-10,24H2,1H3.

What are the key properties of 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile?

6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2348.96 g/mol, XLogP of 19.55, 29 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-3-fluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-1,3-dihydroindol-2-one;2-fluoro-5-[8-[[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(2-piperidin-1-ylethylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 159230340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).