2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone

C137H141Cl10F12N15O9 — CID 158651179

About 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone

2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone (PubChem CID 158651179) has the molecular formula C137H141Cl10F12N15O9 and a molecular weight of 2724.24 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone
• PubChem CID: 158651179
• Molecular Formula: C137H141Cl10F12N15O9
• Molecular Weight: 2724.24 g/mol
• Exact Mass: 2717.77
• IUPAC Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone
• SMILES: CC(=O)C(C)(C)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C(C)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CC(N2CCN(C(=O)c3ccc(Cl)c(Cc4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)CC2)C1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4cc(C)c(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CCC4)CC3)c1Cl)n2C
• InChI: InChI=1S/C29H30Cl2F3N3O2.C28H30Cl2F3N3O2.C27H28Cl2F3N3O2.C27H28Cl2N4O.C26H25Cl2F3N2O2/c1-16-10-19(29(32,33)34)13-26-23(16)14-20(35(26)3)15-24-25(30)5-4-22(27(24)31)28(39)37-8-6-36(7-9-37)21-11-18(12-21)17(2)38;1-16-12-18(28(31,32)33)13-24-21(16)14-19(34(24)5)15-22-23(29)7-6-20(25(22)30)26(38)35-8-10-36(11-9-35)27(3,4)17(2)37;1-15-11-18(27(30,31)32)12-24-21(15)13-19(33(24)4)14-22-23(28)6-5-20(25(22)29)26(37)35-9-7-34(8-10-35)16(2)17(3)36;1-17-12-18(16-30)13-25-22(17)14-20(31(25)2)15-23-24(28)7-6-21(26(23)29)27(34)33-10-8-32(9-11-33)19-4-3-5-19;1-14-10-17-11-18(32(3)23(17)13-21(14)26(29,30)31)12-20-22(27)5-4-19(24(20)28)25(35)33-8-6-16(7-9-33)15(2)34/h4-5,10,13-14,18,21H,6-9,11-12,15H2,1-3H3;6-7,12-14H,8-11,15H2,1-5H3;5-6,11-13,16H,7-10,14H2,1-4H3;6-7,12-14,19H,3-5,8-11,15H2,1-2H3;4-5,10-11,13,16H,6-9,12H2,1-3H3
• InChIKey: IBOPRTSDUUQUAB-UHFFFAOYSA-N
• XLogP: 31.61
• TPSA: 231.23 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2724.24
LogP ≤ 5	31.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone (CID 158651179) is 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone.

What is the SMILES notation for 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The canonical SMILES for 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone is CC(=O)C(C)(C)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C(C)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CC(N2CCN(C(=O)c3ccc(Cl)c(Cc4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)CC2)C1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4cc(C)c(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CCC4)CC3)c1Cl)n2C.

What is the InChIKey of 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The InChIKey is IBOPRTSDUUQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2F3N3O2.C28H30Cl2F3N3O2.C27H28Cl2F3N3O2.C27H28Cl2N4O.C26H25Cl2F3N2O2/c1-16-10-19(29(32,33)34)13-26-23(16)14-20(35(26)3)15-24-25(30)5-4-22(27(24)31)28(39)37-8-6-36(7-9-37)21-11-18(12-21)17(2)38;1-16-12-18(28(31,32)33)13-24-21(16)14-19(34(24)5)15-22-23(29)7-6-20(25(22)30)26(38)35-8-10-36(11-9-35)27(3,4)17(2)37;1-15-11-18(27(30,31)32)12-24-21(15)13-19(33(24)4)14-22-23(28)6-5-20(25(22)29)26(37)35-9-7-34(8-10-35)16(2)17(3)36;1-17-12-18(16-30)13-25-22(17)14-20(31(25)2)15-23-24(28)7-6-21(26(23)29)27(34)33-10-8-32(9-11-33)19-4-3-5-19;1-14-10-17-11-18(32(3)23(17)13-21(14)26(29,30)31)12-20-22(27)5-4-19(24(20)28)25(35)33-8-6-16(7-9-33)15(2)34/h4-5,10,13-14,18,21H,6-9,11-12,15H2,1-3H3;6-7,12-14H,8-11,15H2,1-5H3;5-6,11-13,16H,7-10,14H2,1-4H3;6-7,12-14,19H,3-5,8-11,15H2,1-2H3;4-5,10-11,13,16H,6-9,12H2,1-3H3.

What are the key properties of 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone has a molecular weight of 2724.24 g/mol, XLogP of 31.61, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 158651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).