methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

C16H14FN3O2 — CID 19588772

IUPACmethyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2C
InChIInChI=1S/C16H14FN3O2/c1-9-14-12(16(21)22-3)8-13(18-15(14)20(2)19-9)10-4-6-11(17)7-5-10/h4-8H,1-3H3
InChIKeyIPRHDYTXUSFILL-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.87
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19588772) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19588772
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Namemethyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2C
InChIInChI=1S/C16H14FN3O2/c1-9-14-12(16(21)22-3)8-13(18-15(14)20(2)19-9)10-4-6-11(17)7-5-10/h4-8H,1-3H3
InChIKeyIPRHDYTXUSFILL-UHFFFAOYSA-N
XLogP2.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19588772) is methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2C.
What is the InChIKey of methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IPRHDYTXUSFILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-14-12(16(21)22-3)8-13(18-15(14)20(2)19-9)10-4-6-11(17)7-5-10/h4-8H,1-3H3.
What are the key properties of methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19588772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).