TL;DR: N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide (CAS 1039041-39-8) is a chemical compound with molecular formula C23H21N7O3S2 and molecular weight 507.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide, F6548-3890, 2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
| Molecular Formula | C23H21N7O3S2 |
| Molecular Weight | 507.11472 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.11472 Da |
| Heavy Atoms | 35 |
| Complexity | 914.0 |
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=CS5 |
| InChIKey | IDXHCOBVSJTKTQ-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide. The TPSA of 185.0 Ų indicates high polarity, suggesting N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide is 1039041-39-8.
The molecular formula of N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide is C23H21N7O3S2.
The molecular weight of N-(3-methyl-1H-pyrazol-5-yl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetamide is 507.11472 g/mol.
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