2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

C23H26F3N3O2 — CID 123269226

About 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 123269226) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

• Compound Name: 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
• PubChem CID: 123269226
• Molecular Formula: C23H26F3N3O2
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.20
• IUPAC Name: 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
• SMILES: CC(C)(C)Oc1cnc(C2CCC3(CCNC3=O)N2)cc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C23H26F3N3O2/c1-21(2,3)31-19-13-28-18(17-8-9-22(29-17)10-11-27-20(22)30)12-16(19)14-4-6-15(7-5-14)23(24,25)26/h4-7,12-13,17,29H,8-11H2,1-3H3,(H,27,30)
• InChIKey: OUUWFDDBAIPWDX-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 123269226) is 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is CC(C)(C)Oc1cnc(C2CCC3(CCNC3=O)N2)cc1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

The InChIKey is OUUWFDDBAIPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-21(2,3)31-19-13-28-18(17-8-9-22(29-17)10-11-27-20(22)30)12-16(19)14-4-6-15(7-5-14)23(24,25)26/h4-7,12-13,17,29H,8-11H2,1-3H3,(H,27,30).

What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?

2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 433.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 123269226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).