(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C17H13FN4O2 — CID 31653930

IUPAC(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3ccc(C#N)cc3F)cc12
InChIInChI=1S/C17H13FN4O2/c1-10-14-6-13(8-20-16(14)22(2)21-10)17(23)24-9-12-4-3-11(7-19)5-15(12)18/h3-6,8H,9H2,1-2H3
InChIKeyYIODYLFSGUENGN-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.64
Rot. Bonds3

About (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 31653930) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID31653930
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3ccc(C#N)cc3F)cc12
InChIInChI=1S/C17H13FN4O2/c1-10-14-6-13(8-20-16(14)22(2)21-10)17(23)24-9-12-4-3-11(7-19)5-15(12)18/h3-6,8H,9H2,1-2H3
InChIKeyYIODYLFSGUENGN-UHFFFAOYSA-N
XLogP2.64
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 31653930) is (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OCc3ccc(C#N)cc3F)cc12.
What is the InChIKey of (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is YIODYLFSGUENGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-10-14-6-13(8-20-16(14)22(2)21-10)17(23)24-9-12-4-3-11(7-19)5-15(12)18/h3-6,8H,9H2,1-2H3.
What are the key properties of (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 324.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31653930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).