tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

C56H62Cl4F8N6O6 — CID 158413753

About tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate

tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 158413753) has the molecular formula C56H62Cl4F8N6O6 and a molecular weight of 1208.94 g/mol. Its IUPAC name is tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
• PubChem CID: 158413753
• Molecular Formula: C56H62Cl4F8N6O6
• Molecular Weight: 1208.94 g/mol
• Exact Mass: 1206.34
• IUPAC Name: tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
• SMILES: C[C@@H](OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Cl)n(CC(F)(F)F)nc12.C[C@@H](OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Cl)nn(CC(F)(F)F)c12
• InChI: InChI=1S/2C28H31Cl2F4N3O3/c1-17(21-13-19(29)14-22-23(21)37(35-24(22)30)15-28(32,33)34)39-16-27(18-5-7-20(31)8-6-18)9-11-36(12-10-27)25(38)40-26(2,3)4;1-17(21-13-19(29)14-22-23(21)35-37(24(22)30)15-28(32,33)34)39-16-27(18-5-7-20(31)8-6-18)9-11-36(12-10-27)25(38)40-26(2,3)4/h2*5-8,13-14,17H,9-12,15-16H2,1-4H3/t2*17-/m11/s1
• InChIKey: GZPYEIZZUZUPCY-NDMDWDKOSA-N
• XLogP: 16.18
• TPSA: 113.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1208.94
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate (CID 158413753) is tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is C[C@@H](OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Cl)n(CC(F)(F)F)nc12.C[C@@H](OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Cl)nn(CC(F)(F)F)c12.

What is the InChIKey of tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

The InChIKey is GZPYEIZZUZUPCY-NDMDWDKOSA-N. The full InChI is InChI=1S/2C28H31Cl2F4N3O3/c1-17(21-13-19(29)14-22-23(21)37(35-24(22)30)15-28(32,33)34)39-16-27(18-5-7-20(31)8-6-18)9-11-36(12-10-27)25(38)40-26(2,3)4;1-17(21-13-19(29)14-22-23(21)35-37(24(22)30)15-28(32,33)34)39-16-27(18-5-7-20(31)8-6-18)9-11-36(12-10-27)25(38)40-26(2,3)4/h2*5-8,13-14,17H,9-12,15-16H2,1-4H3/t2*17-/m11/s1.

What are the key properties of tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate?

tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 1208.94 g/mol, XLogP of 16.18, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[(1R)-1-[3,5-dichloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate;tert-butyl 4-[[(1R)-1-[3,5-dichloro-2-(2,2,2-trifluoroethyl)indazol-7-yl]ethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 158413753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).