TL;DR: 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide (CAS 863447-71-6) is a chemical compound with molecular formula C20H25N5O2 and molecular weight 367.20084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: F0679-0600, 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide, 2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)acetamide, 2-{1-tert-butyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C20H25N5O2 |
| Molecular Weight | 367.20084 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.20084 Da |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C)C |
| InChIKey | QNABIQGPUJBRDO-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide. Following Lipinski's Rule of Five, 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide is 863447-71-6.
The molecular formula of 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide is C20H25N5O2.
The molecular weight of 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-mesitylacetamide is 367.20084 g/mol.
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