1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C17H9F4N3O — CID 29090918

IUPAC1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1
InChIInChI=1S/C17H9F4N3O/c18-10-3-5-11(6-4-10)24-16-12(9-22-24)13(17(19,20)21)8-14(23-16)15-2-1-7-25-15/h1-9H
InChIKeyFWUAFFSHPSXSQW-UHFFFAOYSA-N
MW347.27 g/mol
LogP4.84
Rot. Bonds2

About 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090918) has the molecular formula C17H9F4N3O and a molecular weight of 347.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090918
Molecular FormulaC17H9F4N3O
Molecular Weight347.27 g/mol
Exact Mass347.07
IUPAC Name1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1
InChIInChI=1S/C17H9F4N3O/c18-10-3-5-11(6-4-10)24-16-12(9-22-24)13(17(19,20)21)8-14(23-16)15-2-1-7-25-15/h1-9H
InChIKeyFWUAFFSHPSXSQW-UHFFFAOYSA-N
XLogP4.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090918) is 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Fc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is FWUAFFSHPSXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N3O/c18-10-3-5-11(6-4-10)24-16-12(9-22-24)13(17(19,20)21)8-14(23-16)15-2-1-7-25-15/h1-9H.
What are the key properties of 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 347.27 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).