diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate

C18H16FN3O4 — CID 11337246

IUPACdiethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate
SMILESCCOC(=O)c1nn(C(=O)OCC)c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H16FN3O4/c1-3-25-17(23)15-14-9-12(11-6-5-7-13(19)8-11)10-20-16(14)22(21-15)18(24)26-4-2/h5-10H,3-4H2,1-2H3
InChIKeyLOUUKLNCAFUIHZ-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.42
Rot. Bonds4

About diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate

diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate (PubChem CID 11337246) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate
PubChem CID11337246
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Namediethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate
SMILESCCOC(=O)c1nn(C(=O)OCC)c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H16FN3O4/c1-3-25-17(23)15-14-9-12(11-6-5-7-13(19)8-11)10-20-16(14)22(21-15)18(24)26-4-2/h5-10H,3-4H2,1-2H3
InChIKeyLOUUKLNCAFUIHZ-UHFFFAOYSA-N
XLogP3.42
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate?
The IUPAC name of diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate (CID 11337246) is diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate is CCOC(=O)c1nn(C(=O)OCC)c2ncc(-c3cccc(F)c3)cc12.
What is the InChIKey of diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate?
The InChIKey is LOUUKLNCAFUIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-3-25-17(23)15-14-9-12(11-6-5-7-13(19)8-11)10-20-16(14)22(21-15)18(24)26-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate?
diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate has a molecular weight of 357.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(3-fluorophenyl)pyrazolo[5,4-b]pyridine-1,3-dicarboxylate is sourced from PubChem (CID 11337246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).