3-Cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1011398-56-3
Catalog: |
BB047884 |
Product Name: |
3-Cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1011398-56-3 |
Synonyms: |
3-Cyclopropyl-1-(4-fluorophenyl)-6-(2-furyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid; 3-cyclopropyl-1-(4-fluorophenyl)-6-(2-furyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 3-Cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 1011398-56-3 ) is a useful research chemical. |
Molecular Weight: | 363.34 |
Molecular Formula: | C20H14FN3O3 |
Canonical SMILES: | C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CO4)C(=O)O)C5=CC=C(C=C5)F |
InChI: | InChI=1S/C20H14FN3O3/c21-12-5-7-13(8-6-12)24-19-17(18(23-24)11-3-4-11)14(20(25)26)10-15(22-19)16-2-1-9-27-16/h1-2,5-11H,3-4H2,(H,25,26) |
InChI Key: | QCZOIKZFOPBCNO-UHFFFAOYSA-N |
Boiling Point: | 512.1±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 567 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.10191948 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.10191948 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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