1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H13FN4O2 — CID 8891551

IUPAC1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(CCC#N)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12
InChIInChI=1S/C17H13FN4O2/c1-10-15-13(17(23)24)9-14(11-3-5-12(18)6-4-11)20-16(15)22(21-10)8-2-7-19/h3-6,9H,2,8H2,1H3,(H,23,24)
InChIKeyPNTQERITUDJXLY-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 8891551) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID8891551
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(CCC#N)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12
InChIInChI=1S/C17H13FN4O2/c1-10-15-13(17(23)24)9-14(11-3-5-12(18)6-4-11)20-16(15)22(21-10)8-2-7-19/h3-6,9H,2,8H2,1H3,(H,23,24)
InChIKeyPNTQERITUDJXLY-UHFFFAOYSA-N
XLogP3.16
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 8891551) is 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(CCC#N)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12.
What is the InChIKey of 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is PNTQERITUDJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-10-15-13(17(23)24)9-14(11-3-5-12(18)6-4-11)20-16(15)22(21-10)8-2-7-19/h3-6,9H,2,8H2,1H3,(H,23,24).
What are the key properties of 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 324.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 8891551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).