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

IUPAC1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O
InChIInChI=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)
InChIKeyQEIPNXBZMRFSAH-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.47
Rot. Bonds9

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 Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
PubChem CID155529831
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O
InChIInChI=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)
InChIKeyQEIPNXBZMRFSAH-UHFFFAOYSA-N
XLogP4.47
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile
CID 11245460
4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide
CID 137348624
4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491931
3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903080
1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722289
3,5-dimethoxy-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]benzamide
CID 71557142
1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722307
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 138680295
1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 5278480
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
CID 71558280
4-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-2-one
CID 137358408
propyl 1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 137407862

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).