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

C17H16FN3O — CID 45111279

IUPAC3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C17H16FN3O/c18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h1-5,8,11,14H,6-7,9-10H2
InChIKeyILLQLEAXIUKHGR-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.59
Rot. Bonds2

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

3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 45111279) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID45111279
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C17H16FN3O/c18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h1-5,8,11,14H,6-7,9-10H2
InChIKeyILLQLEAXIUKHGR-UHFFFAOYSA-N
XLogP3.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine (CID 45111279) is 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine is Fc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is ILLQLEAXIUKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h1-5,8,11,14H,6-7,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 297.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45111279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).