TL;DR: Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylpropyl)amino)-2-pyridinyl)- (CAS 153473-57-5) is a chemical compound with molecular formula C22H27N5O and molecular weight 377.22156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(butan-2-ylamino)-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-((1-methylpropyl)amino)-2-pyridinyl)-, 1-(Indolyl-2-carbonyl)-4-(3-((1-methylpropyl)amino)-2-pyridyl)piperazine, 1-(Indolyl-2-carbonyl)-4-[3-[(1-methylpropyl)amino]-2-pyridyl]piperazine, 1H-indol-2-yl-[4-[3-(sec-butylamino)-2-pyridyl]piperazin-1-yl]methanone
| Molecular Formula | C22H27N5O |
| Molecular Weight | 377.22156 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.22156 Da |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
| SMILES | CCC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3 |
| InChIKey | FNOGUIRRCQITHA-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylpropyl)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-((1-methylpropyl)amino)-2-pyridinyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylpropyl)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-((1-methylpropyl)amino)-2-pyridinyl)- is 153473-57-5.
The molecular formula of Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylpropyl)amino)-2-pyridinyl)- is C22H27N5O.
The molecular weight of Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylpropyl)amino)-2-pyridinyl)- is 377.22156 g/mol.
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