TL;DR: Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- (CAS 153473-56-4) is a chemical compound with molecular formula C25H25N5O and molecular weight 411.2059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(benzylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Also Known As: BHAP indolyl pyridyl deriv., Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)-, 1-(Indolyl-2-carbonyl)-4-((3-benzylamino)-2-pyridyl)piperazine, 1-(Indolyl-2-carbonyl)-4-[(3-benzylamino)-2-pyridyl]piperazine, [4-[3-(benzylamino)-2-pyridyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
| Molecular Formula | C25H25N5O |
| Molecular Weight | 411.2059 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.2059 Da |
| Heavy Atoms | 31 |
| Complexity | 586.0 |
| SMILES | C1CN(CCN1C2=C(C=CC=N2)NCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4 |
| InChIKey | LJRNOCGYBNRDSO-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- is 153473-56-4.
The molecular formula of Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- is C25H25N5O.
The molecular weight of Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((phenylmethyl)amino)-2-pyridinyl)- is 411.2059 g/mol.
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