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

C15H11FN6O — CID 130250280

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)no1
InChIInChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-18-14)12(20-22)13-19-15(17)23-21-13/h1-7H,8H2,(H2,17,19,21)
InChIKeyQONQUEJVXQMLCR-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.25
Rot. Bonds3

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

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 130250280) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine
PubChem CID130250280
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)no1
InChIInChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-18-14)12(20-22)13-19-15(17)23-21-13/h1-7H,8H2,(H2,17,19,21)
InChIKeyQONQUEJVXQMLCR-UHFFFAOYSA-N
XLogP2.25
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 11304743
CID 11304743
CID 54674461
CID 54674461
CID 11198924
CID 11198924
CID 9798973
CID 9798973
CID 11690019
CID 11690019
CID 21066096
CID 21066096
CID 11261076
CID 11261076
CID 126649391
CID 126649391
CID 165368930
CID 165368930
CID 139382201
CID 139382201
CID 118278207
CID 118278207
CID 778693
CID 778693

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine (CID 130250280) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)no1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is QONQUEJVXQMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-18-14)12(20-22)13-19-15(17)23-21-13/h1-7H,8H2,(H2,17,19,21).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 310.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 130250280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).