3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine - CAS 114040-06-1
Catalog: |
BB003293 |
Product Name: |
3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine |
CAS: |
114040-06-1 |
Synonyms: |
3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine; 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine |
IUPAC Name: | 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine |
Description: | 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine (CAS# 114040-06-1) is an intermediate used in the synthesis of inhibitors of mitogen-activated protein kinase-activated protein kinase 2 as an antiinflammatory target. |
Molecular Weight: | 266.91 |
Molecular Formula: | C6H2BrCl2N3 |
Canonical SMILES: | C1=C(N2C(=C(C=N2)Br)N=C1Cl)Cl |
InChI: | InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H |
InChI Key: | CJIKMWXLGRVJMI-UHFFFAOYSA-N |
Density: | 2.16 g/cm3 |
LogP: | 2.79860 |
Publication Number | Title | Priority Date |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
EA-029372-B1 | Pyrazolopyrimidine compounds | 20131115 |
JP-2016537354-A | Pyrazolopyrimidine compounds | 20131115 |
JP-6095857-B2 | Pyrazolopyrimidine compounds | 20131115 |
KR-20160077193-A | Pyrazolopyrimidine compounds | 20131115 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.88092 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.88092 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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