3-Cyclopropyl-6-ethyl-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1018053-62-7
Catalog: |
BB052948 |
Product Name: |
3-Cyclopropyl-6-ethyl-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1018053-62-7 |
Synonyms: |
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 325.3 |
Molecular Formula: | C18H16FN3O2 |
Canonical SMILES: | CCC1=CC(=C2C(=NN(C2=N1)C3=CC=C(C=C3)F)C4CC4)C(=O)O |
InChI: | InChI=1S/C18H16FN3O2/c1-2-12-9-14(18(23)24)15-16(10-3-4-10)21-22(17(15)20-12)13-7-5-11(19)6-8-13/h5-10H,2-4H2,1H3,(H,23,24) |
InChI Key: | GDSRPIVEVCYPMG-UHFFFAOYSA-N |
Boiling Point: | 431.9±45.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 479 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.12265492 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.12265492 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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