5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C17H15BrFN3O — CID 86676685

IUPAC5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1nn(C2CCCCO2)c2cnc(Br)cc12
InChIInChI=1S/C17H15BrFN3O/c18-15-9-12-14(10-20-15)22(16-7-3-4-8-23-16)21-17(12)11-5-1-2-6-13(11)19/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyPGOAPKJCGDNOJW-UHFFFAOYSA-N
MW376.23 g/mol
LogP4.70
Rot. Bonds2

About 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 86676685) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID86676685
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC Name5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1nn(C2CCCCO2)c2cnc(Br)cc12
InChIInChI=1S/C17H15BrFN3O/c18-15-9-12-14(10-20-15)22(16-7-3-4-8-23-16)21-17(12)11-5-1-2-6-13(11)19/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyPGOAPKJCGDNOJW-UHFFFAOYSA-N
XLogP4.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 86676685) is 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1nn(C2CCCCO2)c2cnc(Br)cc12.
What is the InChIKey of 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is PGOAPKJCGDNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c18-15-9-12-14(10-20-15)22(16-7-3-4-8-23-16)21-17(12)11-5-1-2-6-13(11)19/h1-2,5-6,9-10,16H,3-4,7-8H2.
What are the key properties of 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 376.23 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 86676685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).