6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H18FN3O2 — CID 25247557

IUPAC6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C19H18FN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25)
InChIKeyABERBUFWYGONOA-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.26
Rot. Bonds4

About 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 25247557) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID25247557
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C19H18FN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25)
InChIKeyABERBUFWYGONOA-UHFFFAOYSA-N
XLogP4.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 25247557) is 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)O)c12.
What is the InChIKey of 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is ABERBUFWYGONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).