6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

C20H15F2N3O2 — CID 59834415

IUPAC6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCCOc1ccccc1-c1[nH]nc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C20H15F2N3O2/c1-2-26-16-6-4-3-5-13(16)19-14-8-10-18(23-20(14)25-24-19)27-17-9-7-12(21)11-15(17)22/h3-11H,2H2,1H3,(H,23,24,25)
InChIKeyXBEVJGBTSVOOGH-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.09
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 59834415) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID59834415
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCCOc1ccccc1-c1[nH]nc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C20H15F2N3O2/c1-2-26-16-6-4-3-5-13(16)19-14-8-10-18(23-20(14)25-24-19)27-17-9-7-12(21)11-15(17)22/h3-11H,2H2,1H3,(H,23,24,25)
InChIKeyXBEVJGBTSVOOGH-UHFFFAOYSA-N
XLogP5.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 59834415) is 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is CCOc1ccccc1-c1[nH]nc2nc(Oc3ccc(F)cc3F)ccc12.
What is the InChIKey of 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is XBEVJGBTSVOOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-2-26-16-6-4-3-5-13(16)19-14-8-10-18(23-20(14)25-24-19)27-17-9-7-12(21)11-15(17)22/h3-11H,2H2,1H3,(H,23,24,25).
What are the key properties of 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 367.36 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 59834415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).