TL;DR: N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CAS 1039041-38-7) is a chemical compound with molecular formula C27H27N7O4S and molecular weight 545.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-methoxyphenyl)methyl]-3-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide, F6548-3728, N-[(4-methoxyphenyl)methyl]-3-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C27H27N7O4S |
| Molecular Weight | 545.1845 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.1845 Da |
| Heavy Atoms | 39 |
| Complexity | 983.0 |
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)NCC5=CC=C(C=C5)OC |
| InChIKey | UTLHNJLSZXMZEO-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide. The TPSA of 166.0 Ų indicates high polarity, suggesting N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]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-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 1039041-38-7.
The molecular formula of N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is C27H27N7O4S.
The molecular weight of N-[(4-methoxyphenyl)methyl]-3-[5-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 545.1845 g/mol.
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