1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile

C102H98Cl8F6N12O9 — CID 157280077

About 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile (PubChem CID 157280077) has the molecular formula C102H98Cl8F6N12O9 and a molecular weight of 2033.59 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile.

Molecular Properties

• Compound Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile
• PubChem CID: 157280077
• Molecular Formula: C102H98Cl8F6N12O9
• Molecular Weight: 2033.59 g/mol
• Exact Mass: 2028.50
• IUPAC Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile
• SMILES: CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(C#N)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC(C)CC3)c1Cl)n2C.Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(C)CC3)c2Cl)c2c(C)cc(C#N)cc12
• InChI: InChI=1S/C27H27Cl2F3N2O3.C27H25Cl2N3O3.C25H23Cl2N3O2.C23H23Cl2F3N4O/c1-15-10-19(37-27(30,31)32)14-24-21(15)12-18(33(24)3)13-22-23(28)5-4-20(25(22)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-15-10-19(13-30)12-21-16(2)14-32(25(15)21)27(35)23-22(28)5-4-20(24(23)29)26(34)31-8-6-18(7-9-31)11-17(3)33;1-14-6-8-29(9-7-14)24(31)18-4-5-20(26)21(22(18)27)25(32)30-13-16(3)19-11-17(12-28)10-15(2)23(19)30;1-12-4-6-32(7-5-12)22(33)17-11-29-20(25)16(19(17)24)10-14-9-15-13(2)8-18(23(26,27)28)30-21(15)31(14)3/h4-5,10,12,14,17H,6-9,11,13H2,1-3H3;4-5,10,12,14,18H,6-9,11H2,1-3H3;4-5,10-11,13-14H,6-9H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3
• InChIKey: AZOFPIFOJXTBQL-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 251.83 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.59
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile?

The IUPAC name of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile (CID 157280077) is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile.

What is the SMILES notation for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile?

The canonical SMILES for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(C#N)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC(C)CC3)c1Cl)n2C.Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(C)CC3)c2Cl)c2c(C)cc(C#N)cc12.

What is the InChIKey of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile?

The InChIKey is AZOFPIFOJXTBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O3.C27H25Cl2N3O3.C25H23Cl2N3O2.C23H23Cl2F3N4O/c1-15-10-19(37-27(30,31)32)14-24-21(15)12-18(33(24)3)13-22-23(28)5-4-20(25(22)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-15-10-19(13-30)12-21-16(2)14-32(25(15)21)27(35)23-22(28)5-4-20(24(23)29)26(34)31-8-6-18(7-9-31)11-17(3)33;1-14-6-8-29(9-7-14)24(31)18-4-5-20(26)21(22(18)27)25(32)30-13-16(3)19-11-17(12-28)10-15(2)23(19)30;1-12-4-6-32(7-5-12)22(33)17-11-29-20(25)16(19(17)24)10-14-9-15-13(2)8-18(23(26,27)28)30-21(15)31(14)3/h4-5,10,12,14,17H,6-9,11,13H2,1-3H3;4-5,10,12,14,18H,6-9,11H2,1-3H3;4-5,10-11,13-14H,6-9H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3.

What are the key properties of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile?

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile has a molecular weight of 2033.59 g/mol, XLogP of 25.13, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile is sourced from PubChem (CID 157280077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).