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

C15H10FN5O2 — CID 25016454

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-13-10(5-3-7-17-13)12(20-21)14-18-19-15(22)23-14/h1-7H,8H2,(H,19,22)
InChIKeyMILZIDICASGWSF-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.96
Rot. Bonds3

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

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 25016454) has the molecular formula C15H10FN5O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID25016454
Molecular FormulaC15H10FN5O2
Molecular Weight311.28 g/mol
Exact Mass311.08
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-13-10(5-3-7-17-13)12(20-21)14-18-19-15(22)23-14/h1-7H,8H2,(H,19,22)
InChIKeyMILZIDICASGWSF-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 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 25016454) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MILZIDICASGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2/c16-11-6-2-1-4-9(11)8-21-13-10(5-3-7-17-13)12(20-21)14-18-19-15(22)23-14/h1-7H,8H2,(H,19,22).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-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 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 25016454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).