2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C16H12F2N6O2 — CID 169290138

IUPAC2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc2nnc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)n2c1
InChIInChI=1S/C16H12F2N6O2/c1-9-2-5-12-20-23-16(24(12)7-9)25-8-11-4-3-10(6-19-11)14-21-22-15(26-14)13(17)18/h2-7,13H,8H2,1H3
InChIKeyWJJAURGQLGYMFR-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290138) has the molecular formula C16H12F2N6O2 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290138
Molecular FormulaC16H12F2N6O2
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC Name2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc2nnc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)n2c1
InChIInChI=1S/C16H12F2N6O2/c1-9-2-5-12-20-23-16(24(12)7-9)25-8-11-4-3-10(6-19-11)14-21-22-15(26-14)13(17)18/h2-7,13H,8H2,1H3
InChIKeyWJJAURGQLGYMFR-UHFFFAOYSA-N
XLogP3.00
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-(Oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145966243
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145968234
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 164618790
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076
N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide
CID 162722574
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
2-(Difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290178
2-(Difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290225
2-(Difluoromethyl)-5-[6-(imidazo[1,2-a]pyrazin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290226
2-(Difluoromethyl)-5-[6-(pyrazolo[1,5-a]pyrimidin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290230

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290138) is 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1ccc2nnc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)n2c1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is WJJAURGQLGYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2/c1-9-2-5-12-20-23-16(24(12)7-9)25-8-11-4-3-10(6-19-11)14-21-22-15(26-14)13(17)18/h2-7,13H,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 358.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).