About 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid (PubChem CID 165072244) has the molecular formula C117H124Cl6N16O12
and a molecular weight of 2159.10 g/mol. Its IUPAC name is 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?
The IUPAC name of 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid (CID 165072244) is 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?
The canonical SMILES for 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid is CC(CN1CCN(c2ccc3c(C(=O)O)cn(C)c3c2)CC1)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1.CC(Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1)N1CCN(c2ccc3c(C(=O)O)cn(C)c3c2)CC1.Cc1ccccc1-c1noc(C2CC2)c1CCN1CCN(c2ccc3c(C(=O)O)cn(C)c3c2)CC1.Cn1cc(C(=O)O)c2ccc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3(C)C)cc21.
What is the InChIKey of 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?
The InChIKey is SYQNNVNYVIWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N4O3.2C29H30Cl2N4O3.C29H32N4O3/c1-30(2)17-35(13-14-36(30)19-9-10-20-22(29(37)38)16-34(3)25(20)15-19)12-11-21-27(33-39-28(21)18-7-8-18)26-23(31)5-4-6-24(26)32;1-17(25-27(32-38-28(25)18-6-7-18)26-22(30)4-3-5-23(26)31)15-34-10-12-35(13-11-34)19-8-9-20-21(29(36)37)16-33(2)24(20)14-19;1-17(14-21-27(32-38-28(21)18-6-7-18)26-23(30)4-3-5-24(26)31)34-10-12-35(13-11-34)19-8-9-20-22(29(36)37)16-33(2)25(20)15-19;1-19-5-3-4-6-22(19)27-24(28(36-30-27)20-7-8-20)11-12-32-13-15-33(16-14-32)21-9-10-23-25(29(34)35)18-31(2)26(23)17-21/h4-6,9-10,15-16,18H,7-8,11-14,17H2,1-3H3,(H,37,38);3-5,8-9,14,16-18H,6-7,10-13,15H2,1-2H3,(H,36,37);3-5,8-9,15-18H,6-7,10-14H2,1-2H3,(H,36,37);3-6,9-10,17-18,20H,7-8,11-16H2,1-2H3,(H,34,35).
What are the key properties of 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid?
6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid has a molecular weight of 2159.10 g/mol, XLogP of 25.05, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,2-dimethylpiperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-yl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 165072244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).