1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C105H98Cl8F9N9O10 — CID 159035439

About 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 159035439) has the molecular formula C105H98Cl8F9N9O10 and a molecular weight of 2100.60 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 159035439
• Molecular Formula: C105H98Cl8F9N9O10
• Molecular Weight: 2100.60 g/mol
• Exact Mass: 2095.48
• IUPAC Name: 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(C(=O)n3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1
• InChI: InChI=1S/C27H25Cl2FN2O3.C27H27Cl2FN2O2.C26H24Cl2F3N3O3.C25H22Cl2F4N2O2/c1-15(33)12-16-6-9-31(10-7-16)26(34)20-4-5-21(28)23(24(20)29)27(35)32-11-8-18-13-19(17-2-3-17)14-22(30)25(18)32;1-16(33)12-17-6-9-31(10-7-17)27(34)21-4-5-23(28)22(25(21)29)15-32-11-8-19-13-20(18-2-3-18)14-24(30)26(19)32;1-13-8-17(26(29,30)31)10-18-14(2)12-34(22(13)18)25(37)20-21(27)19(11-32-23(20)28)24(36)33-6-4-16(5-7-33)9-15(3)35;1-14(34)10-15-4-7-32(8-5-15)24(35)18-2-3-20(26)19(22(18)27)13-33-9-6-16-11-17(25(29,30)31)12-21(28)23(16)33/h4-5,8,11,13-14,16-17H,2-3,6-7,9-10,12H2,1H3;4-5,8,11,13-14,17-18H,2-3,6-7,9-10,12,15H2,1H3;8,10-12,16H,4-7,9H2,1-3H3;2-3,6,9,11-12,15H,4-5,7-8,10,13H2,1H3
• InChIKey: JVKAARVVFKGVFW-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 216.27 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.60
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The IUPAC name of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 159035439) is 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

What is the SMILES notation for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The canonical SMILES for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(C(=O)n3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.

What is the InChIKey of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The InChIKey is JVKAARVVFKGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2FN2O3.C27H27Cl2FN2O2.C26H24Cl2F3N3O3.C25H22Cl2F4N2O2/c1-15(33)12-16-6-9-31(10-7-16)26(34)20-4-5-21(28)23(24(20)29)27(35)32-11-8-18-13-19(17-2-3-17)14-22(30)25(18)32;1-16(33)12-17-6-9-31(10-7-17)27(34)21-4-5-23(28)22(25(21)29)15-32-11-8-19-13-20(18-2-3-18)14-24(30)26(19)32;1-13-8-17(26(29,30)31)10-18-14(2)12-34(22(13)18)25(37)20-21(27)19(11-32-23(20)28)24(36)33-6-4-16(5-7-33)9-15(3)35;1-14(34)10-15-4-7-32(8-5-15)24(35)18-2-3-20(26)19(22(18)27)13-33-9-6-16-11-17(25(29,30)31)12-21(28)23(16)33/h4-5,8,11,13-14,16-17H,2-3,6-7,9-10,12H2,1H3;4-5,8,11,13-14,17-18H,2-3,6-7,9-10,12,15H2,1H3;8,10-12,16H,4-7,9H2,1-3H3;2-3,6,9,11-12,15H,4-5,7-8,10,13H2,1H3.

What are the key properties of 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2100.60 g/mol, XLogP of 26.81, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-fluoro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159035439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).