6-Ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937691-38-8
Catalog: |
BB052955 |
Product Name: |
6-Ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937691-38-8 |
Synonyms: |
6-ethyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 6-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 281.31 |
Molecular Formula: | C16H15N3O2 |
Canonical SMILES: | CCC1=CC(=C2C(=NN(C2=N1)C3=CC=CC=C3)C)C(=O)O |
InChI: | InChI=1S/C16H15N3O2/c1-3-11-9-13(16(20)21)14-10(2)18-19(15(14)17-11)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3,(H,20,21) |
InChI Key: | KPQNCJSSRKGJMF-UHFFFAOYSA-N |
Boiling Point: | 402.0±45.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.11642673 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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