3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide

C147H172Cl5N17O20S5 — CID 158877461

About 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide

3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide (PubChem CID 158877461) has the molecular formula C147H172Cl5N17O20S5 and a molecular weight of 2834.69 g/mol. Its IUPAC name is 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide.

Molecular Properties

• Compound Name: 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide
• PubChem CID: 158877461
• Molecular Formula: C147H172Cl5N17O20S5
• Molecular Weight: 2834.69 g/mol
• Exact Mass: 2830.00
• IUPAC Name: 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide
• SMILES: Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4cccn4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12.Cc1cnccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12
• InChI: InChI=1S/C30H37ClN4O4S.2C30H34ClN3O4S.C29H34ClN3O4S.C28H33ClN4O4S/c1-18-16-23(17-19(2)29(18)31)39-15-9-12-24-21(4)35(14-13-27(36)33-40(7,37)38)30-25(24)10-8-11-26(30)28-20(3)32-34(6)22(28)5;1-19-16-23(17-20(2)29(19)31)38-15-7-10-25-22(4)34(14-12-28(35)33-39(5,36)37)30-26(8-6-9-27(25)30)24-11-13-32-18-21(24)3;1-19-11-13-32-18-27(19)26-9-6-8-25-24(10-7-15-38-23-16-20(2)29(31)21(3)17-23)22(4)34(30(25)26)14-12-28(35)33-39(5,36)37;1-19-17-22(18-20(2)28(19)30)37-16-8-11-23-21(3)33(15-13-27(34)31-38(5,35)36)29-24(23)9-6-10-25(29)26-12-7-14-32(26)4;1-18-16-21(17-19(2)27(18)29)37-15-7-10-22-20(3)33(14-12-26(34)31-38(5,35)36)28-23(22)8-6-9-24(28)25-11-13-30-32(25)4/h8,10-11,16-17H,9,12-15H2,1-7H3,(H,33,36);2*6,8-9,11,13,16-18H,7,10,12,14-15H2,1-5H3,(H,33,35);6-7,9-10,12,14,17-18H,8,11,13,15-16H2,1-5H3,(H,31,34);6,8-9,11,13,16-17H,7,10,12,14-15H2,1-5H3,(H,31,34)
• InChIKey: JCPOXVLEPFIPAV-UHFFFAOYSA-N
• XLogP: 28.65
• TPSA: 453.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2834.69
LogP ≤ 5	28.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide?

The IUPAC name of 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide (CID 158877461) is 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide.

What is the SMILES notation for 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide?

The canonical SMILES for 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide is Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4cccn4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)NS(C)(=O)=O)c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12.Cc1cnccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12.

What is the InChIKey of 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide?

The InChIKey is JCPOXVLEPFIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN4O4S.2C30H34ClN3O4S.C29H34ClN3O4S.C28H33ClN4O4S/c1-18-16-23(17-19(2)29(18)31)39-15-9-12-24-21(4)35(14-13-27(36)33-40(7,37)38)30-25(24)10-8-11-26(30)28-20(3)32-34(6)22(28)5;1-19-16-23(17-20(2)29(19)31)38-15-7-10-25-22(4)34(14-12-28(35)33-39(5,36)37)30-26(8-6-9-27(25)30)24-11-13-32-18-21(24)3;1-19-11-13-32-18-27(19)26-9-6-8-25-24(10-7-15-38-23-16-20(2)29(31)21(3)17-23)22(4)34(30(25)26)14-12-28(35)33-39(5,36)37;1-19-17-22(18-20(2)28(19)30)37-16-8-11-23-21(3)33(15-13-27(34)31-38(5,35)36)29-24(23)9-6-10-25(29)26-12-7-14-32(26)4;1-18-16-21(17-19(2)27(18)29)37-15-7-10-22-20(3)33(14-12-26(34)31-38(5,35)36)28-23(22)8-6-9-24(28)25-11-13-30-32(25)4/h8,10-11,16-17H,9,12-15H2,1-7H3,(H,33,36);2*6,8-9,11,13,16-18H,7,10,12,14-15H2,1-5H3,(H,33,35);6-7,9-10,12,14,17-18H,8,11,13,15-16H2,1-5H3,(H,31,34);6,8-9,11,13,16-17H,7,10,12,14-15H2,1-5H3,(H,31,34).

What are the key properties of 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide?

3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide has a molecular weight of 2834.69 g/mol, XLogP of 28.65, 50 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 158877461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).