8-Isopropyl-2-(methylsulfonyl)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one - CAS 1453187-12-6
Catalog: |
BB009923 |
Product Name: |
8-Isopropyl-2-(methylsulfonyl)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one |
CAS: |
1453187-12-6 |
Synonyms: |
2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one; 2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one |
IUPAC Name: | 2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one |
Description: | 8-Isopropyl-2-(methylsulfonyl)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one (CAS# 1453187-12-6 ) is a useful research chemical. |
Molecular Weight: | 256.28 |
Molecular Formula: | C9H12N4O3S |
Canonical SMILES: | CC(C)C1=C2N=C(NC(=O)N2N=C1)S(=O)(=O)C |
InChI: | InChI=1S/C9H12N4O3S/c1-5(2)6-4-10-13-7(6)11-8(12-9(13)14)17(3,15)16/h4-5H,1-3H3,(H,11,12,14) |
InChI Key: | ODSNLAHWJMQSAD-UHFFFAOYSA-N |
MDL: | MFCD29041945 |
LogP: | 1.43760 |
Publication Number | Title | Priority Date |
WO-2020035049-A1 | Degradation agents for cyclin dependent kinase, preparation method therefor, pharmaceutical composition thereof and use thereof | 20180817 |
WO-2019197546-A1 | Pharmaceutically active pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives | 20180411 |
WO-2019197549-A1 | Pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives as selective inhibitor of cyclin dependent kinase | 20180411 |
US-2021139483-A1 | Pharmaceutically active pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives | 20180411 |
US-2021147427-A1 | Pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives as selective inhibitor of cyclin dependent kinase | 20180411 |
Complexity: | 465 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.06301143 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.06301143 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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