4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
Molecular Identity
4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
PubChem CID: 45382306
2D Structure
Properties
C25H23N6+
Molecular Formula
407.50
Molecular Weight
g/mol
407.1984
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
60.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
587
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN=C4C(=CN[N+]4=C3)C5=CC=NC6=CC=CC=C56Isomeric SMILES
SMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN=C4C(=CN[N+]4=C3)C5=CC=NC6=CC=CC=C56Synonyms(1)
LDN
Data from PubChem (NCBI)
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Molecular Structure
4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
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Drug Network
Trials and conditions connected to 4-[6-(4-piperazin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]quinoline
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