TL;DR: VU0496841-1 (CAS 1021025-11-5) is a chemical compound with molecular formula C19H14ClFN4OS and molecular weight 400.0561 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
Also Known As: VU0496841-1, F2759-0283, 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide, 4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
| Molecular Formula | C19H14ClFN4OS |
| Molecular Weight | 400.0561 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0561 Da |
| Heavy Atoms | 27 |
| Complexity | 536.0 |
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCC3=CC=CS3)C4=CC=C(C=C4)F |
| InChIKey | CZJDUGFGQJOOSN-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that VU0496841-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496841-1. Following Lipinski's Rule of Five, VU0496841-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VU0496841-1 is 1021025-11-5.
The molecular formula of VU0496841-1 is C19H14ClFN4OS.
The molecular weight of VU0496841-1 is 400.0561 g/mol.
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