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

C17H12F3N5O2 — CID 155399926

IUPAC2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O2/c1-9-23-24-16(26-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)27-17(19)20/h2-7,17H,8H2,1H3
InChIKeyQZTRTPGEPCHZDX-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.58
Rot. Bonds5

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

2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155399926) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155399926
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O2/c1-9-23-24-16(26-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)27-17(19)20/h2-7,17H,8H2,1H3
InChIKeyQZTRTPGEPCHZDX-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 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155399926) is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1.
What is the InChIKey of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is QZTRTPGEPCHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-9-23-24-16(26-9)8-25-14-4-11(6-21-13(14)7-22-25)10-2-3-12(18)15(5-10)27-17(19)20/h2-7,17H,8H2,1H3.
What are the key properties of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-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 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155399926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).