1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine

C15H20FN5S — CID 71294293

IUPAC1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine
SMILESFc1cccc(N2CCN(CCCSc3ncc[nH]3)CC2)n1
InChIInChI=1S/C15H20FN5S/c16-13-3-1-4-14(19-13)21-10-8-20(9-11-21)7-2-12-22-15-17-5-6-18-15/h1,3-6H,2,7-12H2,(H,17,18)
InChIKeyPEDMIAJIULFCQI-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.25
Rot. Bonds6

About 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine

1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine (PubChem CID 71294293) has the molecular formula C15H20FN5S and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine
PubChem CID71294293
Molecular FormulaC15H20FN5S
Molecular Weight321.43 g/mol
Exact Mass321.14
IUPAC Name1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine
SMILESFc1cccc(N2CCN(CCCSc3ncc[nH]3)CC2)n1
InChIInChI=1S/C15H20FN5S/c16-13-3-1-4-14(19-13)21-10-8-20(9-11-21)7-2-12-22-15-17-5-6-18-15/h1,3-6H,2,7-12H2,(H,17,18)
InChIKeyPEDMIAJIULFCQI-UHFFFAOYSA-N
XLogP2.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294258
2-[5-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pentyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294040
1-[5-(cyclohexylmethylsulfonyl)pentyl]-4-(6-fluoro-2-pyridinyl)piperazine
CID 158287261
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 71293871
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187474
6-amino-5-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 68742816
2-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
CID 22944048

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine (CID 71294293) is 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine is Fc1cccc(N2CCN(CCCSc3ncc[nH]3)CC2)n1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine?
The InChIKey is PEDMIAJIULFCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5S/c16-13-3-1-4-14(19-13)21-10-8-20(9-11-21)7-2-12-22-15-17-5-6-18-15/h1,3-6H,2,7-12H2,(H,17,18).
What are the key properties of 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine?
1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine has a molecular weight of 321.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine is sourced from PubChem (CID 71294293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).