2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole

C36H32F6N4O — CID 150912625

About 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole

2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole (PubChem CID 150912625) has the molecular formula C36H32F6N4O and a molecular weight of 650.67 g/mol. Its IUPAC name is 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole.

Molecular Properties

• Compound Name: 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole
• PubChem CID: 150912625
• Molecular Formula: C36H32F6N4O
• Molecular Weight: 650.67 g/mol
• Exact Mass: 650.25
• IUPAC Name: 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole
• SMILES: Cc1[nH]c2ccccc2c1CCn1nc(C(F)(F)F)cc1C1CC(C)(c2[nH]c3ccccc3c2-c2cccc(C(F)(F)F)c2)CCO1
• InChI: InChI=1S/C36H32F6N4O/c1-21-24(25-10-3-5-12-27(25)43-21)14-16-46-29(19-31(45-46)36(40,41)42)30-20-34(2,15-17-47-30)33-32(26-11-4-6-13-28(26)44-33)22-8-7-9-23(18-22)35(37,38)39/h3-13,18-19,30,43-44H,14-17,20H2,1-2H3
• InChIKey: LCHQXBDSODZGQY-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 58.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.67
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole?

The IUPAC name of 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole (CID 150912625) is 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole.

What is the SMILES notation for 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole?

The canonical SMILES for 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole is Cc1[nH]c2ccccc2c1CCn1nc(C(F)(F)F)cc1C1CC(C)(c2[nH]c3ccccc3c2-c2cccc(C(F)(F)F)c2)CCO1.

What is the InChIKey of 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole?

The InChIKey is LCHQXBDSODZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F6N4O/c1-21-24(25-10-3-5-12-27(25)43-21)14-16-46-29(19-31(45-46)36(40,41)42)30-20-34(2,15-17-47-30)33-32(26-11-4-6-13-28(26)44-33)22-8-7-9-23(18-22)35(37,38)39/h3-13,18-19,30,43-44H,14-17,20H2,1-2H3.

What are the key properties of 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole?

2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole has a molecular weight of 650.67 g/mol, XLogP of 9.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[2-[5-[4-methyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl]oxan-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 150912625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).