1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one

C₂₃H₂₅F₃N₆O₃ — CID 155529831

About 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one

1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one (PubChem CID 155529831) has the molecular formula C₂₃H₂₅F₃N₆O₃ and a molecular weight of 490.49 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
• PubChem CID: 155529831
• Molecular Formula: C₂₃H₂₅F₃N₆O₃
• Molecular Weight: 490.49 g/mol
• Exact Mass: 490.19
• IUPAC Name: 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
• SMILES: CC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O
• InChI: InChI=1S/C23H25F3N6O3/c1-15(7-10-31-11-12-32(22(31)33)17-6-9-28-19(27)14-17)8-13-34-18-4-2-16(3-5-18)20-29-21(35-30-20)23(24,25)26/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,27,28)
• InChIKey: QEIPNXBZMRFSAH-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 110.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.49
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one?

The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one (CID 155529831) is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one.

What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one?

The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one is CC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O.

What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one?

The InChIKey is QEIPNXBZMRFSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-15(7-10-31-11-12-32(22(31)33)17-6-9-28-19(27)14-17)8-13-34-18-4-2-16(3-5-18)20-29-21(35-30-20)23(24,25)26/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,27,28).

What are the key properties of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one?

1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one has a molecular weight of 490.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one is sourced from PubChem (CID 155529831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155529831 — identifiers, structure, computed properties (public domain)

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