3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C19H15F3N6O2 — CID 138680295

IUPAC3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3ccc(OCCCn4cccn4)cn3)c2)no1
InChIInChI=1S/C19H15F3N6O2/c20-19(21,22)18-26-17(27-30-18)13-5-7-23-16(11-13)15-4-3-14(12-24-15)29-10-2-9-28-8-1-6-25-28/h1,3-8,11-12H,2,9-10H2
InChIKeyFUIBLZGCMHJGEM-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.88
Rot. Bonds7

About 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 138680295) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID138680295
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC Name3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3ccc(OCCCn4cccn4)cn3)c2)no1
InChIInChI=1S/C19H15F3N6O2/c20-19(21,22)18-26-17(27-30-18)13-5-7-23-16(11-13)15-4-3-14(12-24-15)29-10-2-9-28-8-1-6-25-28/h1,3-8,11-12H,2,9-10H2
InChIKeyFUIBLZGCMHJGEM-UHFFFAOYSA-N
XLogP3.88
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

[1-butyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
CID 155249796
2-phenyl-N-[6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3-pyridinyl]acetamide
CID 138680135
3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155249893
1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175035214
N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249867
1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249798
5-azaspiro[2.4]heptan-5-yl-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanol
CID 162620282
[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
CID 155368385
1-(3-phenoxypropyl)pyrazole
CID 55028379
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
CID 138680160

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 138680295) is 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccnc(-c3ccc(OCCCn4cccn4)cn3)c2)no1.
What is the InChIKey of 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is FUIBLZGCMHJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c20-19(21,22)18-26-17(27-30-18)13-5-7-23-16(11-13)15-4-3-14(12-24-15)29-10-2-9-28-8-1-6-25-28/h1,3-8,11-12H,2,9-10H2.
What are the key properties of 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 416.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138680295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).