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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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 16771359
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731
methyl 3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 17025734
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256

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).