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-yloxypiperazin-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

C142H168N18O17 — CID 159485848

About 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-yloxypiperazin-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-(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-yloxypiperazin-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 159485848) has the molecular formula C142H168N18O17 and a molecular weight of 2399.01 g/mol. Its IUPAC name is 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-yloxypiperazin-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-(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-yloxypiperazin-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: 159485848
• Molecular Formula: C142H168N18O17
• Molecular Weight: 2399.01 g/mol
• Exact Mass: 2397.28
• IUPAC Name: 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-yloxypiperazin-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(OC(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12
• InChI: InChI=1S/C48H56N6O6.C47H56N6O6.C47H56N6O5/c1-33(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)59-52-24-22-51(23-25-52)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;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/h5-8,10-14,16-20,33H,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);5-8,10-14,16-20,33H,9,15,21-32H2,1-4H3,(H,54,55)
• InChIKey: LXOKELASQMYHDB-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 318.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 46
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2399.01
LogP ≤ 5	22.67
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-(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-yloxypiperazin-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-(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-yloxypiperazin-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 159485848) is 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-yloxypiperazin-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-(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-yloxypiperazin-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-(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-yloxypiperazin-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(OC(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-(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-yloxypiperazin-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 LXOKELASQMYHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N6O6.C47H56N6O6.C47H56N6O5/c1-33(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)59-52-24-22-51(23-25-52)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;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/h5-8,10-14,16-20,33H,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);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-(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-yloxypiperazin-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-(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-yloxypiperazin-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 2399.01 g/mol, XLogP of 22.67, 46 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-(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-yloxypiperazin-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 159485848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).