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

C17H11F3N4O — CID 155399885

IUPAC4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2cnc3cnn(Cc4cocn4)c3c2)c1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)13-3-1-2-11(4-13)12-5-16-15(21-6-12)7-23-24(16)8-14-9-25-10-22-14/h1-7,9-10H,8H2
InChIKeyVQUMUJLABHEDJC-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.15
Rot. Bonds3

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

4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole (PubChem CID 155399885) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole
PubChem CID155399885
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2cnc3cnn(Cc4cocn4)c3c2)c1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)13-3-1-2-11(4-13)12-5-16-15(21-6-12)7-23-24(16)8-14-9-25-10-22-14/h1-7,9-10H,8H2
InChIKeyVQUMUJLABHEDJC-UHFFFAOYSA-N
XLogP4.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole (CID 155399885) is 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole is FC(F)(F)c1cccc(-c2cnc3cnn(Cc4cocn4)c3c2)c1.
What is the InChIKey of 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VQUMUJLABHEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)13-3-1-2-11(4-13)12-5-16-15(21-6-12)7-23-24(16)8-14-9-25-10-22-14/h1-7,9-10H,8H2.
What are the key properties of 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole?
4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole has a molecular weight of 344.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 155399885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).