ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - CAS 20481-15-6
Catalog: |
BB016000 |
Product Name: |
ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate |
CAS: |
20481-15-6 |
Synonyms: |
4-chloro-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester; ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate |
IUPAC Name: | ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate |
Description: | ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS# 20481-15-6) is a useful research chemical. |
Molecular Weight: | 253.686 |
Molecular Formula: | C11H12ClN3O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C)C |
InChI: | InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H3 |
InChI Key: | QJXXEUYFFZWYCX-UHFFFAOYSA-N |
Boiling Point: | 356 ℃ at 760 mmHg |
Density: | 1.38 g/cm3 |
MDL: | MFCD00067954 |
LogP: | 2.10680 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10272074-B2 | Inhibitors of glucocorticoid receptor translocation | 20150129 |
US-2018207140-A1 | Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation | 20150129 |
WO-2016123392-A2 | Pyrazolopyrimidines as inhibitors of glucocorticoid receptor translocation | 20150129 |
AU-2011310592-A1 | N-heteroaryl compounds | 20100929 |
AU-2011310592-B2 | N-heteroaryl compounds | 20100929 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0618043 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0618043 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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