TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide (CAS 1212399-81-9) is a chemical compound with molecular formula C20H19ClN6O and molecular weight 394.1309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide, 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide, 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
| Molecular Formula | C20H19ClN6O |
| Molecular Weight | 394.1309 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1309 Da |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
| SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N[C@@H](C)C3=NN=C4N3C=CC=C4)C)Cl |
| InChIKey | BIVUOCBPYOIPKJ-ZDUSSCGKSA-N |
The XLogP value of 3.8 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide 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 (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide is 1212399-81-9.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide is C20H19ClN6O.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzamide is 394.1309 g/mol.
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