5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine

C15H12FN3S — CID 42629298

IUPAC5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine
SMILESC=CCn1ncc2nc(Sc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3S/c1-2-9-19-14-7-8-15(18-13(14)10-17-19)20-12-5-3-11(16)4-6-12/h2-8,10H,1,9H2
InChIKeyOXVLNQFFJUFBJW-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.91
Rot. Bonds4

About 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine

5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine (PubChem CID 42629298) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine
PubChem CID42629298
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine
SMILESC=CCn1ncc2nc(Sc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3S/c1-2-9-19-14-7-8-15(18-13(14)10-17-19)20-12-5-3-11(16)4-6-12/h2-8,10H,1,9H2
InChIKeyOXVLNQFFJUFBJW-UHFFFAOYSA-N
XLogP3.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine (CID 42629298) is 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine is C=CCn1ncc2nc(Sc3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine?
The InChIKey is OXVLNQFFJUFBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-2-9-19-14-7-8-15(18-13(14)10-17-19)20-12-5-3-11(16)4-6-12/h2-8,10H,1,9H2.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine?
5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine has a molecular weight of 285.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 42629298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).