TL;DR: 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine (CAS 147920-12-5) is a chemical compound with molecular formula C22H24N6O and molecular weight 388.20117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indole-6-carbonitrile
Also Known As: BHAP der., Piperazine 1Pyrid 4Indolyl deriv., 5- or 6-Substituted Indole BHAP analogue 13, 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine, 1H-Indole-6-carbonitrile,2-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H24N6O |
| Molecular Weight | 388.20117 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.20117 Da |
| Heavy Atoms | 29 |
| Complexity | 622.0 |
| SMILES | CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)C#N |
| InChIKey | UPIYXGWFALWDAQ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine. Following Lipinski's Rule of Five, 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine is 147920-12-5.
The molecular formula of 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine is C22H24N6O.
The molecular weight of 1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine is 388.20117 g/mol.
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