2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C17H11F3N6O — CID 17022441

IUPAC2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(-c4ccncc4)o3)nn12
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)13-7-11(9-1-2-9)22-14-8-12(25-26(13)14)16-24-23-15(27-16)10-3-5-21-6-4-10/h3-9H,1-2H2
InChIKeyFYJSBZCQZPTQAY-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.74
Rot. Bonds3

About 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 17022441) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID17022441
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(-c4ccncc4)o3)nn12
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)13-7-11(9-1-2-9)22-14-8-12(25-26(13)14)16-24-23-15(27-16)10-3-5-21-6-4-10/h3-9H,1-2H2
InChIKeyFYJSBZCQZPTQAY-UHFFFAOYSA-N
XLogP3.74
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 17022441) is 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is FC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(-c4ccncc4)o3)nn12.
What is the InChIKey of 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is FYJSBZCQZPTQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-17(19,20)13-7-11(9-1-2-9)22-14-8-12(25-26(13)14)16-24-23-15(27-16)10-3-5-21-6-4-10/h3-9H,1-2H2.
What are the key properties of 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 17022441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).