6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

C22H23F3N4O4 — CID 171696056

About 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (PubChem CID 171696056) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
• PubChem CID: 171696056
• Molecular Formula: C22H23F3N4O4
• Molecular Weight: 464.44 g/mol
• Exact Mass: 464.17
• IUPAC Name: 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
• SMILES: CN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H22N4O2.C2HF3O2/c1-22-13-18(25)24(16-7-3-2-4-8-16)15-20(22)10-12-23(14-20)19(26)17-9-5-6-11-21-17;3-2(4,5)1(6)7/h2-9,11H,10,12-15H2,1H3;(H,6,7)
• InChIKey: YYMMYWWDWHQQSH-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.44
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (CID 171696056) is 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is CN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)c1ccccn1)C2.O=C(O)C(F)(F)F.

What is the InChIKey of 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?

The InChIKey is YYMMYWWDWHQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.C2HF3O2/c1-22-13-18(25)24(16-7-3-2-4-8-16)15-20(22)10-12-23(14-20)19(26)17-9-5-6-11-21-17;3-2(4,5)1(6)7/h2-9,11H,10,12-15H2,1H3;(H,6,7).

What are the key properties of 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?

6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid has a molecular weight of 464.44 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171696056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).