7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

C144H173N19O18S — CID 159105149

About 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid (PubChem CID 159105149) has the molecular formula C144H173N19O18S and a molecular weight of 2490.15 g/mol. Its IUPAC name is 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
• PubChem CID: 159105149
• Molecular Formula: C144H173N19O18S
• Molecular Weight: 2490.15 g/mol
• Exact Mass: 2488.29
• IUPAC Name: 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
• SMILES: Cc1nn(C)c(COc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12.Cc1nn(C)c(COc2ccc(N3CCN(C(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12.Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)CC(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12
• InChI: InChI=1S/C49H61N7O7S.C48H56N6O6.C47H56N6O5/c1-35(2)33-51(4)64(59,60)55-25-23-54(24-26-55)38-18-20-39(21-19-38)63-34-44-46(36(3)50-52(44)5)43-15-9-14-41-42(16-10-30-62-45-17-8-12-37-11-6-7-13-40(37)45)48(49(57)58)56(47(41)43)27-22-53-28-31-61-32-29-53;1-33(2)47(55)53-24-22-52(23-25-53)36-17-19-37(20-18-36)60-32-42-44(34(3)49-50(42)4)41-14-8-13-39-40(15-9-29-59-43-16-7-11-35-10-5-6-12-38(35)43)46(48(56)57)54(45(39)41)26-21-51-27-30-58-31-28-51;1-33(2)51-22-24-52(25-23-51)36-17-19-37(20-18-36)58-32-42-44(34(3)48-49(42)4)41-14-8-13-39-40(15-9-29-57-43-16-7-11-35-10-5-6-12-38(35)43)46(47(54)55)53(45(39)41)26-21-50-27-30-56-31-28-50/h6-9,11-15,17-21,35H,10,16,22-34H2,1-5H3,(H,57,58);5-8,10-14,16-20,33H,9,15,21-32H2,1-4H3,(H,56,57);5-8,10-14,16-20,33H,9,15,21-32H2,1-4H3,(H,54,55)
• InChIKey: KDUCZAXMIMONFU-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 346.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 48
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2490.15
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?

The IUPAC name of 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid (CID 159105149) is 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid.

What is the SMILES notation for 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?

The canonical SMILES for 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid is Cc1nn(C)c(COc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12.Cc1nn(C)c(COc2ccc(N3CCN(C(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12.Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)CC(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12.

What is the InChIKey of 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?

The InChIKey is KDUCZAXMIMONFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H61N7O7S.C48H56N6O6.C47H56N6O5/c1-35(2)33-51(4)64(59,60)55-25-23-54(24-26-55)38-18-20-39(21-19-38)63-34-44-46(36(3)50-52(44)5)43-15-9-14-41-42(16-10-30-62-45-17-8-12-37-11-6-7-13-40(37)45)48(49(57)58)56(47(41)43)27-22-53-28-31-61-32-29-53;1-33(2)47(55)53-24-22-52(23-25-53)36-17-19-37(20-18-36)60-32-42-44(34(3)49-50(42)4)41-14-8-13-39-40(15-9-29-59-43-16-7-11-35-10-5-6-12-38(35)43)46(48(56)57)54(45(39)41)26-21-51-27-30-58-31-28-51;1-33(2)51-22-24-52(25-23-51)36-17-19-37(20-18-36)58-32-42-44(34(3)48-49(42)4)41-14-8-13-39-40(15-9-29-57-43-16-7-11-35-10-5-6-12-38(35)43)46(47(54)55)53(45(39)41)26-21-50-27-30-56-31-28-50/h6-9,11-15,17-21,35H,10,16,22-34H2,1-5H3,(H,57,58);5-8,10-14,16-20,33H,9,15,21-32H2,1-4H3,(H,56,57);5-8,10-14,16-20,33H,9,15,21-32H2,1-4H3,(H,54,55).

What are the key properties of 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?

7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid has a molecular weight of 2490.15 g/mol, XLogP of 22.16, 48 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1,3-dimethyl-5-[[4-[4-[methyl(2-methylpropyl)sulfamoyl]piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;7-[1,3-dimethyl-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid is sourced from PubChem (CID 159105149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).