1-(2-Chlorobenzyl)-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937598-76-0
Catalog: |
BB048975 |
Product Name: |
1-(2-Chlorobenzyl)-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937598-76-0 |
Synonyms: |
1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3-methyl-; 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-(2-Chlorobenzyl)-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937598-76-0 ) is a useful research chemical. |
Molecular Weight: | 341.79 |
Molecular Formula: | C18H16ClN3O2 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)CC4=CC=CC=C4Cl |
InChI: | InChI=1S/C18H16ClN3O2/c1-10-16-13(18(23)24)8-15(11-6-7-11)20-17(16)22(21-10)9-12-4-2-3-5-14(12)19/h2-5,8,11H,6-7,9H2,1H3,(H,23,24) |
InChI Key: | WKZGJAAFAZDAAK-UHFFFAOYSA-N |
Boiling Point: | 553.4±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 487 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.0931045 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.0931045 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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