3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one

C15H10FN5O2 — CID 135882232

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)no1
InChIInChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22)
InChIKeyLRCKXSXSLXMNIB-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.96
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135882232) has the molecular formula C15H10FN5O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135882232
Molecular FormulaC15H10FN5O2
Molecular Weight311.28 g/mol
Exact Mass311.08
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)no1
InChIInChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22)
InChIKeyLRCKXSXSLXMNIB-UHFFFAOYSA-N
XLogP1.96
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one (CID 135882232) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)no1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LRCKXSXSLXMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 311.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135882232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).