1-Cyclopentyl-3-methyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-71-2
Catalog: |
BB048856 |
Product Name: |
1-Cyclopentyl-3-methyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-71-2 |
Synonyms: |
1-cyclopentyl-3-methyl-6-(2-thienyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-cyclopentyl-3-methyl-6-(2-thienyl)-; 1-Cyclopentyl-3-methyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-Cyclopentyl-3-methyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-71-2 ) is a useful research chemical. |
Molecular Weight: | 327.40 |
Molecular Formula: | C17H17N3O2S |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)C4CCCC4 |
InChI: | InChI=1S/C17H17N3O2S/c1-10-15-12(17(21)22)9-13(14-7-4-8-23-14)18-16(15)20(19-10)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,21,22) |
InChI Key: | GFBRNSONABEMEA-UHFFFAOYSA-N |
Boiling Point: | 555.1±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 457 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.10414797 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.10414797 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 96.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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