TL;DR: 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide (CAS 1037041-48-7) is a chemical compound with molecular formula C23H21N7O4S and molecular weight 491.13757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(furan-2-ylmethyl)-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
Also Known As: 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide, F6548-3913, N-(furan-2-ylmethyl)-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide, 2-[(2-{2-[(2-furylmethyl)amino]-2-oxoethyl}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
| Molecular Formula | C23H21N7O4S |
| Molecular Weight | 491.13757 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.13757 Da |
| Heavy Atoms | 35 |
| Complexity | 912.0 |
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=CO5 |
| InChIKey | BHHDPFFYJYBSMD-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide has 3 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-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide is 1037041-48-7.
The molecular formula of 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide is C23H21N7O4S.
The molecular weight of 2-{[2-({[(furan-2-yl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methyl-1H-pyrazol-5-yl)acetamide is 491.13757 g/mol.
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