2-Bromo-6-[7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl]benzyl Acetate - CAS 1346674-24-5
Catalog: |
BB007986 |
Product Name: |
2-Bromo-6-[7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl]benzyl Acetate |
CAS: |
1346674-24-5 |
Synonyms: |
acetic acid [2-bromo-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7-dien-10-yl)phenyl]methyl ester; [2-bromo-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7-dien-10-yl)phenyl]methyl acetate |
IUPAC Name: | [2-bromo-6-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)phenyl]methyl acetate |
Description: | 2-Bromo-6-[7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl]benzyl Acetate (CAS# 1346674-24-5 ) is a useful research chemical. |
Molecular Weight: | 431.32 |
Molecular Formula: | C21H23BrN2O3 |
Canonical SMILES: | CC(=O)OCC1=C(C=CC=C1Br)N2CCN3C4=C(CC(C4)(C)C)C=C3C2=O |
InChI: | InChI=1S/C21H23BrN2O3/c1-13(25)27-12-15-16(22)5-4-6-17(15)24-8-7-23-18(20(24)26)9-14-10-21(2,3)11-19(14)23/h4-6,9H,7-8,10-12H2,1-3H3 |
InChI Key: | UEEANEVPYAKXRH-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2018057500-A1 | Pyrazole carboxamide compounds and methods of use | 20141002 |
WO-2016050921-A1 | Pyrazole carboxamide compounds for use in the treament of disorders mediated by bruton's tyrosine kinase (btk) | 20141002 |
AU-2011249912-A1 | Pyridone and aza-pyridone compounds and methods of use | 20100507 |
EP-2566869-B1 | Pyridone and aza-pyridone compounds and methods of use | 20100507 |
US-10053469-B2 | Pyridone and aza-pyridone compounds and methods of use | 20100507 |
Complexity: | 610 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 430.08921 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 430.08921 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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