4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole

C26H28F4N2O — CID 168994197

About 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole

4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole (PubChem CID 168994197) has the molecular formula C26H28F4N2O and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole.

Molecular Properties

• Compound Name: 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
• PubChem CID: 168994197
• Molecular Formula: C26H28F4N2O
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.21
• IUPAC Name: 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
• SMILES: COc1cc(C)c2[nH]ccc2c1CN1CCC2(C[C@@H]1c1ccc(C(F)F)cc1)CC(F)(F)C2
• InChI: InChI=1S/C26H28F4N2O/c1-16-11-22(33-2)20(19-7-9-31-23(16)19)13-32-10-8-25(14-26(29,30)15-25)12-21(32)17-3-5-18(6-4-17)24(27)28/h3-7,9,11,21,24,31H,8,10,12-15H2,1-2H3/t21-/m1/s1
• InChIKey: MUXOSBBDCBQUDJ-OAQYLSRUSA-N
• XLogP: 7.18
• TPSA: 28.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?

The IUPAC name of 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole (CID 168994197) is 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole.

What is the SMILES notation for 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?

The canonical SMILES for 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole is COc1cc(C)c2[nH]ccc2c1CN1CCC2(C[C@@H]1c1ccc(C(F)F)cc1)CC(F)(F)C2.

What is the InChIKey of 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?

The InChIKey is MUXOSBBDCBQUDJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28F4N2O/c1-16-11-22(33-2)20(19-7-9-31-23(16)19)13-32-10-8-25(14-26(29,30)15-25)12-21(32)17-3-5-18(6-4-17)24(27)28/h3-7,9,11,21,24,31H,8,10,12-15H2,1-2H3/t21-/m1/s1.

What are the key properties of 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?

4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole has a molecular weight of 460.52 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 168994197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).