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

C17H12F3N5O — CID 155389276

IUPAC2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O/c1-10-23-24-16(26-10)9-25-15-6-12(7-21-14(15)8-22-25)11-3-2-4-13(5-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyNMEBLHJIDQTXLL-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.86
Rot. Bonds3

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

2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 155389276) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID155389276
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O/c1-10-23-24-16(26-10)9-25-15-6-12(7-21-14(15)8-22-25)11-3-2-4-13(5-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyNMEBLHJIDQTXLL-UHFFFAOYSA-N
XLogP3.86
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-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
N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-
CID 124176287
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-(4-Fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155567885
US10377753, Example 105
CID 124175956
US10377753, Example 181
CID 124176036
6-(4-Fluoro-3-methyl-phenyl)-1-[(1-methylpyrazol-4-
CID 124176085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole (CID 155389276) is 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)o1.
What is the InChIKey of 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is NMEBLHJIDQTXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c1-10-23-24-16(26-10)9-25-15-6-12(7-21-14(15)8-22-25)11-3-2-4-13(5-11)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 359.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155389276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).