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

C16H11F3N6O — CID 155388979

IUPAC2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccnc(C(F)(F)F)c4)cc32)o1
InChIInChI=1S/C16H11F3N6O/c1-9-23-24-15(26-9)8-25-13-4-11(6-21-12(13)7-22-25)10-2-3-20-14(5-10)16(17,18)19/h2-7H,8H2,1H3
InChIKeyJPDGCFKXTAJPBZ-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.25
Rot. Bonds3

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

2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 155388979) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID155388979
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccnc(C(F)(F)F)c4)cc32)o1
InChIInChI=1S/C16H11F3N6O/c1-9-23-24-15(26-9)8-25-13-4-11(6-21-12(13)7-22-25)10-2-3-20-14(5-10)16(17,18)19/h2-7H,8H2,1H3
InChIKeyJPDGCFKXTAJPBZ-UHFFFAOYSA-N
XLogP3.25
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole (CID 155388979) is 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4ccnc(C(F)(F)F)c4)cc32)o1.
What is the InChIKey of 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JPDGCFKXTAJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c1-9-23-24-15(26-9)8-25-13-4-11(6-21-12(13)7-22-25)10-2-3-20-14(5-10)16(17,18)19/h2-7H,8H2,1H3.
What are the key properties of 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 360.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155388979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).