5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole

C10H3F6N5O — CID 146162299

IUPAC5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cnc3n[nH]c(C(F)(F)F)c3c2)no1
InChIInChI=1S/C10H3F6N5O/c11-9(12,13)5-4-1-3(2-17-7(4)20-19-5)6-18-8(22-21-6)10(14,15)16/h1-2H,(H,17,19,20)
InChIKeyABQAEDBJDQXTQM-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.05
Rot. Bonds1

About 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole

5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole (PubChem CID 146162299) has the molecular formula C10H3F6N5O and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole
PubChem CID146162299
Molecular FormulaC10H3F6N5O
Molecular Weight323.16 g/mol
Exact Mass323.02
IUPAC Name5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cnc3n[nH]c(C(F)(F)F)c3c2)no1
InChIInChI=1S/C10H3F6N5O/c11-9(12,13)5-4-1-3(2-17-7(4)20-19-5)6-18-8(22-21-6)10(14,15)16/h1-2H,(H,17,19,20)
InChIKeyABQAEDBJDQXTQM-UHFFFAOYSA-N
XLogP3.05
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole (CID 146162299) is 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2cnc3n[nH]c(C(F)(F)F)c3c2)no1.
What is the InChIKey of 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole?
The InChIKey is ABQAEDBJDQXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F6N5O/c11-9(12,13)5-4-1-3(2-17-7(4)20-19-5)6-18-8(22-21-6)10(14,15)16/h1-2H,(H,17,19,20).
What are the key properties of 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole?
5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole has a molecular weight of 323.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 146162299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).