TL;DR: N-[(furan-2-yl)methyl]-3-{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}propanamide (CAS 1042664-61-8) is a chemical compound with molecular formula C28H24N6O4S and molecular weight 540.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(furan-2-ylmethyl)-3-[5-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-[(furan-2-yl)methyl]-3-{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}propanamide, F0920-6275, N-(furan-2-ylmethyl)-3-[5-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide, N-(2-furylmethyl)-3-(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)propanamide
| Molecular Formula | C28H24N6O4S |
| Molecular Weight | 540.15796 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.15796 Da |
| Heavy Atoms | 39 |
| Complexity | 1250.0 |
| SMILES | CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=CC=CC=C4C5=NC(C(=O)N53)CCC(=O)NCC6=CC=CO6 |
| InChIKey | WMMFFBIGUDAYSW-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(furan-2-yl)methyl]-3-{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}propanamide. The TPSA of 145.0 Ų indicates high polarity, suggesting N-[(furan-2-yl)methyl]-3-{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}propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(furan-2-yl)methyl]-3-{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}propanamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[(furan-2-yl)methyl]-3-{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}propanamide is 1042664-61-8.
The molecular formula of N-[(furan-2-yl)methyl]-3-{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}propanamide is C28H24N6O4S.
The molecular weight of N-[(furan-2-yl)methyl]-3-{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}propanamide is 540.15796 g/mol.
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