TL;DR: 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione (CAS 1022251-81-5) is a chemical compound with molecular formula C21H17ClF3N3O2 and molecular weight 435.09613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethylidene]indene-1,3-dione
Also Known As: 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione, 2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL)PIPERAZINYL)ETHYLIDENE)INDANE-1,3-DIONE, 2-(1-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-dione, 2-(1-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethylidene)-1H-indene-1,3(2H)-dione, 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethylidene]indane-1,3-dione
| Molecular Formula | C21H17ClF3N3O2 |
| Molecular Weight | 435.09613 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.09613 Da |
| Heavy Atoms | 30 |
| Complexity | 707.0 |
| SMILES | CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
| InChIKey | HTRVSEMXVINUBO-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione is 1022251-81-5.
The molecular formula of 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione is C21H17ClF3N3O2.
The molecular weight of 2-[1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethylidene]indene-1,3-dione is 435.09613 g/mol.
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