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

C17H12F3N5O2 — CID 155389139

IUPAC3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)no1
InChIInChI=1S/C17H12F3N5O2/c1-9-23-16(24-27-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)26-17(19)20/h2-7,17H,8H2,1H3
InChIKeyVXLGNHLGNBXZQO-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.58
Rot. Bonds5

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

3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 155389139) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID155389139
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)no1
InChIInChI=1S/C17H12F3N5O2/c1-9-23-16(24-27-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)26-17(19)20/h2-7,17H,8H2,1H3
InChIKeyVXLGNHLGNBXZQO-UHFFFAOYSA-N
XLogP3.58
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 155389139) is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)no1.
What is the InChIKey of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is VXLGNHLGNBXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-9-23-16(24-27-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)26-17(19)20/h2-7,17H,8H2,1H3.
What are the key properties of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 375.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).