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

C17H11F4N5O — CID 155389236

IUPAC2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)ccc1F
InChIInChI=1S/C17H11F4N5O/c1-9-4-10(2-3-12(9)18)11-5-14-13(22-6-11)7-23-26(14)8-15-24-25-16(27-15)17(19,20)21/h2-7H,8H2,1H3
InChIKeyCVKJLTHDAZITLM-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.00
Rot. Bonds3

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

2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155389236) has the molecular formula C17H11F4N5O and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID155389236
Molecular FormulaC17H11F4N5O
Molecular Weight377.30 g/mol
Exact Mass377.09
IUPAC Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)ccc1F
InChIInChI=1S/C17H11F4N5O/c1-9-4-10(2-3-12(9)18)11-5-14-13(22-6-11)7-23-26(14)8-15-24-25-16(27-15)17(19,20)21/h2-7H,8H2,1H3
InChIKeyCVKJLTHDAZITLM-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

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

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Related Compounds

2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
US10377753, Example 67
CID 124175917
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
CID 137636739
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 137649478
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 137652467
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide
CID 137656600
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 155553391
2-[[6-(4-Fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155567885
US10377753, Example 95
CID 124175945
US10377753, Example 105
CID 124175956
US10377753, Example 181
CID 124176036

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155389236) is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1cc(-c2cnc3cnn(Cc4nnc(C(F)(F)F)o4)c3c2)ccc1F.
What is the InChIKey of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is CVKJLTHDAZITLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N5O/c1-9-4-10(2-3-12(9)18)11-5-14-13(22-6-11)7-23-26(14)8-15-24-25-16(27-15)17(19,20)21/h2-7H,8H2,1H3.
What are the key properties of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-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 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155389236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).