1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C103H98Cl8F12N10O11 — CID 159925435

About 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 159925435) has the molecular formula C103H98Cl8F12N10O11 and a molecular weight of 2163.58 g/mol. Its IUPAC name is 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 159925435
• Molecular Formula: C103H98Cl8F12N10O11
• Molecular Weight: 2163.58 g/mol
• Exact Mass: 2158.47
• IUPAC Name: 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(OC(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(OC(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1
• InChI: InChI=1S/C26H24Cl2F3N3O3.C26H26Cl2F3N3O2.C26H25Cl2F3N2O3.C25H23Cl2F3N2O3/c1-13-8-16(26(29,30)31)10-19-17(13)11-20(33(19)3)23(36)21-22(27)18(12-32-24(21)28)25(37)34-6-4-15(5-7-34)9-14(2)35;1-14-8-17(26(29,30)31)10-22-19(14)11-18(33(22)3)12-20-21(27)13-32-24(23(20)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-15(34)11-16-7-9-33(10-8-16)25(35)20-5-6-22(27)21(24(20)28)13-18-12-17-3-4-19(36-26(29,30)31)14-23(17)32(18)2;1-14(33)15-7-9-32(10-8-15)24(34)19-5-6-21(26)20(23(19)27)12-17-11-16-3-4-18(35-25(28,29)30)13-22(16)31(17)2/h8,10-12,15H,4-7,9H2,1-3H3;8,10-11,13,16H,4-7,9,12H2,1-3H3;3-6,12,14,16H,7-11,13H2,1-2H3;3-6,11,13,15H,7-10,12H2,1-2H3
• InChIKey: NYYKXQSDOUMERO-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 230.55 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.58
LogP ≤ 5	26.12
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-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The IUPAC name of 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 159925435) is 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

What is the SMILES notation for 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The canonical SMILES for 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(OC(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(OC(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.

What is the InChIKey of 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The InChIKey is NYYKXQSDOUMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2F3N3O3.C26H26Cl2F3N3O2.C26H25Cl2F3N2O3.C25H23Cl2F3N2O3/c1-13-8-16(26(29,30)31)10-19-17(13)11-20(33(19)3)23(36)21-22(27)18(12-32-24(21)28)25(37)34-6-4-15(5-7-34)9-14(2)35;1-14-8-17(26(29,30)31)10-22-19(14)11-18(33(22)3)12-20-21(27)13-32-24(23(20)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-15(34)11-16-7-9-33(10-8-16)25(35)20-5-6-22(27)21(24(20)28)13-18-12-17-3-4-19(36-26(29,30)31)14-23(17)32(18)2;1-14(33)15-7-9-32(10-8-15)24(34)19-5-6-21(26)20(23(19)27)12-17-11-16-3-4-18(35-25(28,29)30)13-22(16)31(17)2/h8,10-12,15H,4-7,9H2,1-3H3;8,10-11,13,16H,4-7,9,12H2,1-3H3;3-6,12,14,16H,7-11,13H2,1-2H3;3-6,11,13,15H,7-10,12H2,1-2H3.

What are the key properties of 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2163.58 g/mol, XLogP of 26.12, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4,6-dichloro-5-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159925435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).