2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid

C140H152Cl5N15O13 — CID 158670445

About 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid

2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid (PubChem CID 158670445) has the molecular formula C140H152Cl5N15O13 and a molecular weight of 2430.11 g/mol. Its IUPAC name is 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid.

Molecular Properties

• Compound Name: 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid
• PubChem CID: 158670445
• Molecular Formula: C140H152Cl5N15O13
• Molecular Weight: 2430.11 g/mol
• Exact Mass: 2426.01
• IUPAC Name: 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid
• SMILES: Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)O)c3c(-c4c(C)nn(CCN5CCOCC5)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)O)c3)c3c(-c4c(C)nn(Cc5ccccn5)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)O)c3)c3c(-c4c(C)nn(Cc5cccnc5)c4C)cccc23)cc(C)c1Cl
• InChI: InChI=1S/2C39H39ClN4O3.C34H43ClN4O4.C28H31Cl2N3O3/c1-24-18-32(19-25(2)37(24)40)47-17-9-15-33-27(4)43(22-29-10-6-12-31(20-29)39(45)46)38-34(33)13-7-14-35(38)36-26(3)42-44(28(36)5)23-30-11-8-16-41-21-30;1-24-19-32(20-25(2)37(24)40)47-18-10-16-33-27(4)43(22-29-11-8-12-30(21-29)39(45)46)38-34(33)14-9-15-35(38)36-26(3)42-44(28(36)5)23-31-13-6-7-17-41-31;1-22-20-27(21-23(2)33(22)35)43-17-7-10-28-25(4)38(12-11-31(40)41)34-29(28)8-6-9-30(34)32-24(3)36-39(26(32)5)14-13-37-15-18-42-19-16-37;1-15-12-20(13-16(2)27(15)30)36-11-7-8-21-18(4)33(14-24(34)35)28-22(21)9-10-23(29)26(28)25-17(3)31-32(6)19(25)5/h6-8,10-14,16,18-21H,9,15,17,22-23H2,1-5H3,(H,45,46);6-9,11-15,17,19-21H,10,16,18,22-23H2,1-5H3,(H,45,46);6,8-9,20-21H,7,10-19H2,1-5H3,(H,40,41);9-10,12-13H,7-8,11,14H2,1-6H3,(H,34,35)
• InChIKey: IDWQDGXSEKZPGM-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 315.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.11
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid?

The IUPAC name of 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid (CID 158670445) is 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid.

What is the SMILES notation for 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid?

The canonical SMILES for 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid is Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)O)c3c(-c4c(C)nn(CCN5CCOCC5)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)O)c3)c3c(-c4c(C)nn(Cc5ccccn5)c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(Cc3cccc(C(=O)O)c3)c3c(-c4c(C)nn(Cc5cccnc5)c4C)cccc23)cc(C)c1Cl.

What is the InChIKey of 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid?

The InChIKey is IDWQDGXSEKZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H39ClN4O3.C34H43ClN4O4.C28H31Cl2N3O3/c1-24-18-32(19-25(2)37(24)40)47-17-9-15-33-27(4)43(22-29-10-6-12-31(20-29)39(45)46)38-34(33)13-7-14-35(38)36-26(3)42-44(28(36)5)23-30-11-8-16-41-21-30;1-24-19-32(20-25(2)37(24)40)47-18-10-16-33-27(4)43(22-29-11-8-12-30(21-29)39(45)46)38-34(33)14-9-15-35(38)36-26(3)42-44(28(36)5)23-31-13-6-7-17-41-31;1-22-20-27(21-23(2)33(22)35)43-17-7-10-28-25(4)38(12-11-31(40)41)34-29(28)8-6-9-30(34)32-24(3)36-39(26(32)5)14-13-37-15-18-42-19-16-37;1-15-12-20(13-16(2)27(15)30)36-11-7-8-21-18(4)33(14-24(34)35)28-22(21)9-10-23(29)26(28)25-17(3)31-32(6)19(25)5/h6-8,10-14,16,18-21H,9,15,17,22-23H2,1-5H3,(H,45,46);6-9,11-15,17,19-21H,10,16,18,22-23H2,1-5H3,(H,45,46);6,8-9,20-21H,7,10-19H2,1-5H3,(H,40,41);9-10,12-13H,7-8,11,14H2,1-6H3,(H,34,35).

What are the key properties of 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid?

2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid has a molecular weight of 2430.11 g/mol, XLogP of 31.31, 42 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-methylindol-1-yl]propanoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid;3-[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-methylindol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 158670445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).