6-Cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937598-64-6
Catalog: |
BB048960 |
Product Name: |
6-Cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937598-64-6 |
Synonyms: |
6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl- |
IUPAC Name: | 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 6-Cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937598-64-6 ) is a useful research chemical. |
Molecular Weight: | 311.31 |
Molecular Formula: | C17H14FN3O2 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)C4=CC=C(C=C4)F |
InChI: | InChI=1S/C17H14FN3O2/c1-9-15-13(17(22)23)8-14(10-2-3-10)19-16(15)21(20-9)12-6-4-11(18)5-7-12/h4-8,10H,2-3H2,1H3,(H,22,23) |
InChI Key: | HQTRSWDQCNGXHO-UHFFFAOYSA-N |
Boiling Point: | 437.8±45.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 465 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.10700486 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.10700486 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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