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

C18H14F3N5O — CID 155388711

IUPAC2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H14F3N5O/c1-10-24-25-17(27-10)9-26-16-6-12(7-22-15(16)8-23-26)11-3-4-14(19)13(5-11)18(2,20)21/h3-8H,9H2,1-2H3
InChIKeyOANZSJNKGAEUOV-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.09
Rot. Bonds4

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

2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155388711) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155388711
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(C)(F)F)c4)cc32)o1
InChIInChI=1S/C18H14F3N5O/c1-10-24-25-17(27-10)9-26-16-6-12(7-22-15(16)8-23-26)11-3-4-14(19)13(5-11)18(2,20)21/h3-8H,9H2,1-2H3
InChIKeyOANZSJNKGAEUOV-UHFFFAOYSA-N
XLogP4.09
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155388711) is 2-[[6-[3-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(C)(F)F)c4)cc32)o1.
What is the InChIKey of 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is OANZSJNKGAEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-10-24-25-17(27-10)9-26-16-6-12(7-22-15(16)8-23-26)11-3-4-14(19)13(5-11)18(2,20)21/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 373.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155388711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).