1-Benzyl-6-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1018151-22-8
Catalog: |
BB052949 |
Product Name: |
1-Benzyl-6-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1018151-22-8 |
Synonyms: |
1-benzyl-6-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 1-benzyl-6-ethyl-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 295.34 |
Molecular Formula: | C17H17N3O2 |
Canonical SMILES: | CCC1=CC(=C2C(=NN(C2=N1)CC3=CC=CC=C3)C)C(=O)O |
InChI: | InChI=1S/C17H17N3O2/c1-3-13-9-14(17(21)22)15-11(2)19-20(16(15)18-13)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,21,22) |
InChI Key: | VJDWTMLECFCDCT-UHFFFAOYSA-N |
Boiling Point: | 488.4±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.132076794 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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