5-Chloro-3-nitro-pyrazolo[1,5-a]pyrimidine - CAS 1363380-51-1
Catalog: |
BB069966 |
Product Name: |
5-Chloro-3-nitro-pyrazolo[1,5-a]pyrimidine |
CAS: |
1363380-51-1 |
Synonyms: |
5-CHLORO-3-NITROPYRAZOLO[1,5-A]PYRIMIDINE; Pyrazolo[1,5-a]pyrimidine, 5-chloro-3-nitro-; 5-Chloro-3-nitropyrazolo(1,5-a)pyrimidine; Pyrazolo(1,5-a)pyrimidine, 5-chloro-3-nitro- |
IUPAC Name: | 5-chloro-3-nitropyrazolo[1,5-a]pyrimidine |
Description: | 5-Chloro-3-nitro-pyrazolo[1,5-a]pyrimidine is used in the preparation of (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide, a tyrosine kinase (TRK) inhibitor for treating cancer. |
Molecular Weight: | 198.57 |
Molecular Formula: | C6H3ClN4O2 |
Canonical SMILES: | C1=CN2C(=C(C=N2)[N+](=O)[O-])N=C1Cl |
InChI: | InChI=1S/C6H3ClN4O2/c7-5-1-2-10-6(9-5)4(3-8-10)11(12)13/h1-3H |
InChI Key: | VYEUPRYCLWAOMU-UHFFFAOYSA-N |
Melting Point: | 163 - 165°C |
Solubility: | Chloroform (Slightly, Heated), DMSO (Slightly) |
Appearance: | Purple Solid |
Storage: | Hygroscopic, Refrigerator, under inert atmosphere |
References: | Reynolds, M., et al. PCT Int. Appl. (2017), WO 2017201241 A1 20171123. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.994453 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.994453 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 76Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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