TL;DR: Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- (CAS 136818-09-2) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.15897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
Also Known As: BHAP indolyl pyridyl deriv., Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-, 1-(Indolyl-2-carbonyl)-4-(3-amino-2-pyridyl)piperazine, (1H-Indol-2-yl)[4-[3-amino-2-pyridinyl]piperazino] ketone, [4-(3-amino-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
| Molecular Formula | C18H19N5O |
| Molecular Weight | 321.15897 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.15897 Da |
| Heavy Atoms | 24 |
| Complexity | 451.0 |
| SMILES | C1CN(CCN1C2=C(C=CC=N2)N)C(=O)C3=CC4=CC=CC=C4N3 |
| InChIKey | CIBUJFBWRFSXTF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- 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-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is 136818-09-2.
The molecular formula of Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is C18H19N5O.
The molecular weight of Piperazine, 1-(3-amino-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is 321.15897 g/mol.
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