7,7-Dimethyl-2,3,4,6,7,8-hexahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1-one - CAS 1346674-23-4
Catalog: |
BB007985 |
Product Name: |
7,7-Dimethyl-2,3,4,6,7,8-hexahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1-one |
CAS: |
1346674-23-4 |
Synonyms: |
4,4-dimethyl-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7-dien-9-one; 4,4-dimethyl-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7-dien-9-one |
IUPAC Name: | 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one |
Description: | 7,7-Dimethyl-2,3,4,6,7,8-hexahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1-one (CAS# 1346674-23-4 ) is a useful research chemical. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | CC1(CC2=C(C1)N3CCNC(=O)C3=C2)C |
InChI: | InChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15) |
InChI Key: | XIUNFLQSJSCQRM-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.68510 |
GHS Hazard Statement: | H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] |
Precautionary Statement: | P260, P264, P270, P309+P311, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021091575-A1 | Bifunctional compounds for degrading btk via ubiquitin proteosome pathway | 20191108 |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
WO-2019161152-A1 | Inhibitors of btk and mutants thereof | 20180219 |
CN-111741959-A | Inhibitors of BTK and mutants thereof | 20180219 |
KR-20200122348-A | Inhibitors of BTK and its mutants | 20180219 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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