5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C17H11F4N5O — CID 155389079

IUPAC5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4F)cc32)n1
InChIInChI=1S/C17H11F4N5O/c1-9-24-15(27-25-9)8-26-14-5-10(6-22-13(14)7-23-26)11-3-2-4-12(16(11)18)17(19,20)21/h2-7H,8H2,1H3
InChIKeyWOZALSWWIQMVJM-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.00
Rot. Bonds3

About 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 155389079) has the molecular formula C17H11F4N5O and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID155389079
Molecular FormulaC17H11F4N5O
Molecular Weight377.30 g/mol
Exact Mass377.09
IUPAC Name5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4F)cc32)n1
InChIInChI=1S/C17H11F4N5O/c1-9-24-15(27-25-9)8-26-14-5-10(6-22-13(14)7-23-26)11-3-2-4-12(16(11)18)17(19,20)21/h2-7H,8H2,1H3
InChIKeyWOZALSWWIQMVJM-UHFFFAOYSA-N
XLogP4.00
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 155389079) is 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4F)cc32)n1.
What is the InChIKey of 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WOZALSWWIQMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N5O/c1-9-24-15(27-25-9)8-26-14-5-10(6-22-13(14)7-23-26)11-3-2-4-12(16(11)18)17(19,20)21/h2-7H,8H2,1H3.
What are the key properties of 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 377.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155389079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).