Pyrazolo[1,5-a]pyrimidin-5(4H)-one - CAS 29274-22-4
Catalog: |
BB020162 |
Product Name: |
Pyrazolo[1,5-a]pyrimidin-5(4H)-one |
CAS: |
29274-22-4 |
Synonyms: |
4H-pyrazolo[1,5-a]pyrimidin-5-one; 4H-pyrazolo[1,5-a]pyrimidin-5-one |
IUPAC Name: | 4H-pyrazolo[1,5-a]pyrimidin-5-one |
Description: | Pyrazolo[1,5-a]pyrimidin-5(4H)-one (CAS# 29274-22-4) is a useful research chemical. |
Molecular Weight: | 135.12 |
Molecular Formula: | C6H5N3O |
Canonical SMILES: | C1=CN2C(=CC=N2)NC1=O |
InChI: | InChI=1S/C6H5N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1-4H,(H,8,10) |
InChI Key: | LSLIYLLMLAQRIS-UHFFFAOYSA-N |
Boiling Point: | 243.174 ℃ at 760 mmHg |
Density: | 1.511 g/cm3 |
MDL: | MFCD14581682 |
LogP: | 0.43490 |
GHS Hazard Statement: | H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021042890-A1 | Heterocyclic compound and application thereof as trk kinase inhibitor | 20190904 |
CN-111039947-A | Preparation and application of protein receptor kinase inhibitor | 20181015 |
WO-2020078360-A1 | Preparation and uses of protein receptor kinase inhibitor | 20181015 |
AU-2018364938-A1 | Macrocyclic compounds as TRK kinase inhibitors and uses thereof | 20171110 |
CA-3081790-A1 | Macrocyclic compounds as trk kinase inhibitors and uses thereof | 20171110 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.043261791 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.043261791 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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