2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid

C138H149Cl5N12O15 — CID 158801389

About 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid

2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid (PubChem CID 158801389) has the molecular formula C138H149Cl5N12O15 and a molecular weight of 2393.04 g/mol. Its IUPAC name is 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid
• PubChem CID: 158801389
• Molecular Formula: C138H149Cl5N12O15
• Molecular Weight: 2393.04 g/mol
• Exact Mass: 2388.97
• IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid
• SMILES: Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4c(C)n[nH]c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4cccn4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)O)c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)O)c12.Cc1cnccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(=O)O)c12
• InChI: InChI=1S/C29H31ClN2O3.C28H29ClN2O3.2C27H30ClN3O3.C27H29ClN2O3/c1-18-10-12-31-17-26(18)25-8-5-7-24-23(21(4)32(29(24)25)13-11-27(33)34)9-6-14-35-22-15-19(2)28(30)20(3)16-22;1-17-13-21(14-18(2)27(17)29)34-12-6-9-23-20(4)31(16-26(32)33)28-24(7-5-8-25(23)28)22-10-11-30-15-19(22)3;1-15-12-20(13-16(2)26(15)28)34-11-7-10-21-19(5)31(14-24(32)33)27-22(21)8-6-9-23(27)25-17(3)29-30-18(25)4;1-17-15-20(16-18(2)26(17)28)34-14-6-9-21-19(3)31(13-11-25(32)33)27-22(21)7-5-8-23(27)24-10-12-29-30(24)4;1-17-14-20(15-18(2)26(17)28)33-13-7-10-21-19(3)30(16-25(31)32)27-22(21)8-5-9-23(27)24-11-6-12-29(24)4/h5,7-8,10,12,15-17H,6,9,11,13-14H2,1-4H3,(H,33,34);5,7-8,10-11,13-15H,6,9,12,16H2,1-4H3,(H,32,33);6,8-9,12-13H,7,10-11,14H2,1-5H3,(H,29,30)(H,32,33);5,7-8,10,12,15-16H,6,9,11,13-14H2,1-4H3,(H,32,33);5-6,8-9,11-12,14-15H,7,10,13,16H2,1-4H3,(H,31,32)
• InChIKey: ITNLJHFDJCWWFI-UHFFFAOYSA-N
• XLogP: 32.51
• TPSA: 334.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.04
LogP ≤ 5	32.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid?

The IUPAC name of 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid (CID 158801389) is 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid?

The canonical SMILES for 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid is Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4c(C)n[nH]c4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CC(=O)O)c3c(-c4cccn4C)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C)n(CCC(=O)O)c3c(-c4ccnn4C)cccc23)cc(C)c1Cl.Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)O)c12.Cc1cnccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(=O)O)c12.

What is the InChIKey of 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid?

The InChIKey is ITNLJHFDJCWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN2O3.C28H29ClN2O3.2C27H30ClN3O3.C27H29ClN2O3/c1-18-10-12-31-17-26(18)25-8-5-7-24-23(21(4)32(29(24)25)13-11-27(33)34)9-6-14-35-22-15-19(2)28(30)20(3)16-22;1-17-13-21(14-18(2)27(17)29)34-12-6-9-23-20(4)31(16-26(32)33)28-24(7-5-8-25(23)28)22-10-11-30-15-19(22)3;1-15-12-20(13-16(2)26(15)28)34-11-7-10-21-19(5)31(14-24(32)33)27-22(21)8-6-9-23(27)25-17(3)29-30-18(25)4;1-17-15-20(16-18(2)26(17)28)34-14-6-9-21-19(3)31(13-11-25(32)33)27-22(21)7-5-8-23(27)24-10-12-29-30(24)4;1-17-14-20(15-18(2)26(17)28)33-13-7-10-21-19(3)30(16-25(31)32)27-22(21)8-5-9-23(27)24-11-6-12-29(24)4/h5,7-8,10,12,15-17H,6,9,11,13-14H2,1-4H3,(H,33,34);5,7-8,10-11,13-15H,6,9,12,16H2,1-4H3,(H,32,33);6,8-9,12-13H,7,10-11,14H2,1-5H3,(H,29,30)(H,32,33);5,7-8,10,12,15-16H,6,9,11,13-14H2,1-4H3,(H,32,33);5-6,8-9,11-12,14-15H,7,10,13,16H2,1-4H3,(H,31,32).

What are the key properties of 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid?

2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid has a molecular weight of 2393.04 g/mol, XLogP of 32.51, 42 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylindol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(2-methylpyrazol-3-yl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(3-methyl-4-pyridinyl)indol-1-yl]acetic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(4-methyl-3-pyridinyl)indol-1-yl]propanoic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methyl-7-(1-methylpyrrol-2-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 158801389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).