6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid

C144H140Cl10FN19O16 — CID 165100783

About 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid

6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid (PubChem CID 165100783) has the molecular formula C144H140Cl10FN19O16 and a molecular weight of 2766.35 g/mol. Its IUPAC name is 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid
• PubChem CID: 165100783
• Molecular Formula: C144H140Cl10FN19O16
• Molecular Weight: 2766.35 g/mol
• Exact Mass: 2759.76
• IUPAC Name: 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid
• SMILES: Cn1cc(C(=O)O)c2c(F)cc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.Cn1cc(C(=O)O)c2ccc(C3(O)CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.Cn1cc(C(=O)O)c2ccc(N3C4CC3CN(CCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21.Cn1cc(C(=O)O)c2ccc(N3CC4CC(C3)N4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.Cn1cc(C(=O)O)c2ccc(N3CC4CC3CN4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21
• InChI: InChI=1S/3C29H28Cl2N4O3.C29H29Cl2N3O4.C28H27Cl2FN4O3/c1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)35-14-18-11-19(35)13-34(18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)34-13-18-11-19(14-34)35(18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)35-18-11-19(35)14-34(13-18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-16-21(28(35)36)19-8-7-18(15-24(19)33)29(37)10-13-34(14-11-29)12-9-20-26(32-38-27(20)17-5-6-17)25-22(30)3-2-4-23(25)31;1-33-15-19(28(36)37)24-22(31)13-17(14-23(24)33)35-11-9-34(10-12-35)8-7-18-26(32-38-27(18)16-5-6-16)25-20(29)3-2-4-21(25)30/h3*2-4,7-8,12,15-16,18-19H,5-6,9-11,13-14H2,1H3,(H,36,37);2-4,7-8,15-17,37H,5-6,9-14H2,1H3,(H,35,36);2-4,13-16H,5-12H2,1H3,(H,36,37)
• InChIKey: YGYKPDFKCYXDFZ-UHFFFAOYSA-N
• XLogP: 31.13
• TPSA: 390.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.35
LogP ≤ 5	31.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid?

The IUPAC name of 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid (CID 165100783) is 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid.

What is the SMILES notation for 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid?

The canonical SMILES for 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2c(F)cc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.Cn1cc(C(=O)O)c2ccc(C3(O)CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.Cn1cc(C(=O)O)c2ccc(N3C4CC3CN(CCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21.Cn1cc(C(=O)O)c2ccc(N3CC4CC(C3)N4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.Cn1cc(C(=O)O)c2ccc(N3CC4CC3CN4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.

What is the InChIKey of 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid?

The InChIKey is YGYKPDFKCYXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H28Cl2N4O3.C29H29Cl2N3O4.C28H27Cl2FN4O3/c1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)35-14-18-11-19(35)13-34(18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)34-13-18-11-19(14-34)35(18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-15-22(29(36)37)20-8-7-17(12-25(20)33)35-18-11-19(35)14-34(13-18)10-9-21-27(32-38-28(21)16-5-6-16)26-23(30)3-2-4-24(26)31;1-33-16-21(28(35)36)19-8-7-18(15-24(19)33)29(37)10-13-34(14-11-29)12-9-20-26(32-38-27(20)17-5-6-17)25-22(30)3-2-4-23(25)31;1-33-15-19(28(36)37)24-22(31)13-17(14-23(24)33)35-11-9-34(10-12-35)8-7-18-26(32-38-27(18)16-5-6-16)25-20(29)3-2-4-21(25)30/h3*2-4,7-8,12,15-16,18-19H,5-6,9-11,13-14H2,1H3,(H,36,37);2-4,7-8,15-17,37H,5-6,9-14H2,1H3,(H,35,36);2-4,13-16H,5-12H2,1H3,(H,36,37).

What are the key properties of 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid?

6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid has a molecular weight of 2766.35 g/mol, XLogP of 31.13, 35 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-methylindole-3-carboxylic acid;6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid;6-[6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylindole-3-carboxylic acid;6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-4-hydroxypiperidin-4-yl]-1-methylindole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-4-fluoro-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 165100783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).