3-Cyclopropyl-1-(2-fluorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1018164-82-3
Catalog: |
BB052704 |
Product Name: |
3-Cyclopropyl-1-(2-fluorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1018164-82-3 |
Synonyms: |
3-cyclopropyl-1-(2-fluorophenyl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 3-cyclopropyl-1-(2-fluorophenyl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 311.31 |
Molecular Formula: | C17H14FN3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)C3=CC=CC=C3F)C4CC4)C(=O)O |
InChI: | InChI=1S/C17H14FN3O2/c1-9-8-11(17(22)23)14-15(10-6-7-10)20-21(16(14)19-9)13-5-3-2-4-12(13)18/h2-5,8,10H,6-7H2,1H3,(H,22,23) |
InChI Key: | ZPVYWCVOJDTAJO-UHFFFAOYSA-N |
Boiling Point: | 430.1±45.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 473 |
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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