TL;DR: 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide (CAS 1024142-87-7) is a chemical compound with molecular formula C27H22N6O3S2 and molecular weight 542.1195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide, F0920-6276, 2-[5-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide, 2-(5-{[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(thien-2-ylmethyl)acetamide
| Molecular Formula | C27H22N6O3S2 |
| Molecular Weight | 542.1195 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.1195 Da |
| Heavy Atoms | 38 |
| Complexity | 1240.0 |
| SMILES | CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=CC=CC=C4C5=NC(C(=O)N53)CC(=O)NCC6=CC=CS6 |
| InChIKey | VAYIQPOJAZIXQE-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide is 1024142-87-7.
The molecular formula of 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide is C27H22N6O3S2.
The molecular weight of 2-{5-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide is 542.1195 g/mol.
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