N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine

C145H169F3N26O2S2 — CID 167583527

About N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine (PubChem CID 167583527) has the molecular formula C145H169F3N26O2S2 and a molecular weight of 2429.25 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine
• PubChem CID: 167583527
• Molecular Formula: C145H169F3N26O2S2
• Molecular Weight: 2429.25 g/mol
• Exact Mass: 2427.33
• IUPAC Name: N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine
• SMILES: CNCc1ccccc1-c1csc([C@@H](C)Nc2nccc3ccc(N4CCOCC4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nccc3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nc(C)c(F)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2ncc(F)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2ncc(F)c3cnc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nccc3ccc(N4CCNCC4)cc23)c1C
• InChI: InChI=1S/C27H30N4OS.C26H29N5OS.C24H29FN4.C23H27FN4.C23H28N4.C22H26FN5/c1-19(26-15-22(18-33-26)24-6-4-3-5-21(24)17-28-2)30-27-25-16-23(31-11-13-32-14-12-31)8-7-20(25)9-10-29-27;1-18(24-13-21(17-33-24)22-6-4-3-5-19(22)15-27-2)30-26-23-14-25(31-9-11-32-12-10-31)29-16-20(23)7-8-28-26;1-15-6-5-7-20(16(15)2)17(3)27-24-22-14-19(29-12-10-26-11-13-29)8-9-21(22)23(25)18(4)28-24;1-15-5-4-6-19(16(15)2)17(3)27-23-21-13-18(28-11-9-25-10-12-28)7-8-20(21)22(24)14-26-23;1-16-5-4-6-21(17(16)2)18(3)26-23-22-15-20(27-13-11-24-12-14-27)8-7-19(22)9-10-25-23;1-14-5-4-6-17(15(14)2)16(3)27-22-18-11-21(28-9-7-24-8-10-28)25-12-19(18)20(23)13-26-22/h3-10,15-16,18-19,28H,11-14,17H2,1-2H3,(H,29,30);3-8,13-14,16-18,27H,9-12,15H2,1-2H3,(H,28,30);5-9,14,17,26H,10-13H2,1-4H3,(H,27,28);4-8,13-14,17,25H,9-12H2,1-3H3,(H,26,27);4-10,15,18,24H,11-14H2,1-3H3,(H,25,26);4-6,11-13,16,24H,7-10H2,1-3H3,(H,26,27)/t19-;18-;2*17-;18-;16-/m111111/s1
• InChIKey: HMKGKERTYQAHTG-QVZUUUQISA-N
• XLogP: 28.64
• TPSA: 285.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.25
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?

The IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine (CID 167583527) is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine.

What is the SMILES notation for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?

The canonical SMILES for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine is CNCc1ccccc1-c1csc([C@@H](C)Nc2nccc3ccc(N4CCOCC4)cc23)c1.CNCc1ccccc1-c1csc([C@@H](C)Nc2nccc3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nc(C)c(F)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2ncc(F)c3ccc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2ncc(F)c3cnc(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nccc3ccc(N4CCNCC4)cc23)c1C.

What is the InChIKey of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?

The InChIKey is HMKGKERTYQAHTG-QVZUUUQISA-N. The full InChI is InChI=1S/C27H30N4OS.C26H29N5OS.C24H29FN4.C23H27FN4.C23H28N4.C22H26FN5/c1-19(26-15-22(18-33-26)24-6-4-3-5-21(24)17-28-2)30-27-25-16-23(31-11-13-32-14-12-31)8-7-20(25)9-10-29-27;1-18(24-13-21(17-33-24)22-6-4-3-5-19(22)15-27-2)30-26-23-14-25(31-9-11-32-12-10-31)29-16-20(23)7-8-28-26;1-15-6-5-7-20(16(15)2)17(3)27-24-22-14-19(29-12-10-26-11-13-29)8-9-21(22)23(25)18(4)28-24;1-15-5-4-6-19(16(15)2)17(3)27-23-21-13-18(28-11-9-25-10-12-28)7-8-20(21)22(24)14-26-23;1-16-5-4-6-21(17(16)2)18(3)26-23-22-15-20(27-13-11-24-12-14-27)8-7-19(22)9-10-25-23;1-14-5-4-6-17(15(14)2)16(3)27-22-18-11-21(28-9-7-24-8-10-28)25-12-19(18)20(23)13-26-22/h3-10,15-16,18-19,28H,11-14,17H2,1-2H3,(H,29,30);3-8,13-14,16-18,27H,9-12,15H2,1-2H3,(H,28,30);5-9,14,17,26H,10-13H2,1-4H3,(H,27,28);4-8,13-14,17,25H,9-12H2,1-3H3,(H,26,27);4-10,15,18,24H,11-14H2,1-3H3,(H,25,26);4-6,11-13,16,24H,7-10H2,1-3H3,(H,26,27)/t19-;18-;2*17-;18-;16-/m111111/s1.

What are the key properties of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine has a molecular weight of 2429.25 g/mol, XLogP of 28.64, 30 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-3-methyl-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-fluoro-7-piperazin-1-yl-2,6-naphthyridin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-piperazin-1-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylisoquinolin-1-amine;N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 167583527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).