3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C14H7F3N6O — CID 155249893

IUPAC3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3nccc4cncn34)c2)no1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)13-21-11(22-24-13)8-1-3-19-10(5-8)12-20-4-2-9-6-18-7-23(9)12/h1-7H
InChIKeyHDMPROWFWHMHDD-UHFFFAOYSA-N
MW332.25 g/mol
LogP2.86
Rot. Bonds2

About 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 155249893) has the molecular formula C14H7F3N6O and a molecular weight of 332.25 g/mol. Its IUPAC name is 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID155249893
Molecular FormulaC14H7F3N6O
Molecular Weight332.25 g/mol
Exact Mass332.06
IUPAC Name3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3nccc4cncn34)c2)no1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)13-21-11(22-24-13)8-1-3-19-10(5-8)12-20-4-2-9-6-18-7-23(9)12/h1-7H
InChIKeyHDMPROWFWHMHDD-UHFFFAOYSA-N
XLogP2.86
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175035214
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 138680295
[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
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
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 100729318
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
[(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
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-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 155249893) is 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccnc(-c3nccc4cncn34)c2)no1.
What is the InChIKey of 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is HDMPROWFWHMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6O/c15-14(16,17)13-21-11(22-24-13)8-1-3-19-10(5-8)12-20-4-2-9-6-18-7-23(9)12/h1-7H.
What are the key properties of 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 332.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155249893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).