7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

C20H20F3N3O — CID 123435041

About 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 123435041) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

• Compound Name: 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
• PubChem CID: 123435041
• Molecular Formula: C20H20F3N3O
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.16
• IUPAC Name: 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
• SMILES: CN1CCC2(CCC(c3cc(-c4ccc(C(F)(F)F)cc4)ccn3)N2)C1=O
• InChI: InChI=1S/C20H20F3N3O/c1-26-11-9-19(18(26)27)8-6-16(25-19)17-12-14(7-10-24-17)13-2-4-15(5-3-13)20(21,22)23/h2-5,7,10,12,16,25H,6,8-9,11H2,1H3
• InChIKey: ZDPYSPGBPDMMKF-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The IUPAC name of 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 123435041) is 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

What is the SMILES notation for 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The canonical SMILES for 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is CN1CCC2(CCC(c3cc(-c4ccc(C(F)(F)F)cc4)ccn3)N2)C1=O.

What is the InChIKey of 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The InChIKey is ZDPYSPGBPDMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-26-11-9-19(18(26)27)8-6-16(25-19)17-12-14(7-10-24-17)13-2-4-15(5-3-13)20(21,22)23/h2-5,7,10,12,16,25H,6,8-9,11H2,1H3.

What are the key properties of 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 375.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 123435041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).