4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid - CAS 933689-86-2
Catalog: |
BB040863 |
Product Name: |
4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid |
CAS: |
933689-86-2 |
Synonyms: |
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid |
IUPAC Name: | 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid |
Description: | 4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CAS# 933689-86-2) is a reagent used in the preparation of bicyclic compounds that may act as inhibitors of PD-1/PD-L1 interaction/activation. |
Molecular Weight: | 167.17 |
Molecular Formula: | C7H9N3O2 |
Canonical SMILES: | C1CNCC2=C1NN=C2C(=O)O |
InChI: | InChI=1S/C7H9N3O2/c11-7(12)6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10)(H,11,12) |
InChI Key: | QOBHHBJTLXNTBW-UHFFFAOYSA-N |
MDL: | MFCD12198479 |
LogP: | 0.88440 |
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 |
Publication Number | Title | Priority Date |
WO-2020221824-A1 | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106685-A | Novel phenyl and pyridyl ureas active against the hepatitis b virus (hbv) | 20190430 |
TW-202106686-A | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106687-A | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
AU-2017341999-A1 | Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof | 20161011 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.8 |
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