2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C17H18FN5 — CID 24824210

IUPAC2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILES[18F]c1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1
InChIInChI=1S/C17H18FN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2/i18-1
InChIKeyCECDNRUCUZFOLS-SQZVAGKESA-N
MW310.37 g/mol
LogP2.19
Rot. Bonds3

About 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 24824210) has the molecular formula C17H18FN5 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID24824210
Molecular FormulaC17H18FN5
Molecular Weight310.37 g/mol
Exact Mass310.16
IUPAC Name2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILES[18F]c1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1
InChIInChI=1S/C17H18FN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2/i18-1
InChIKeyCECDNRUCUZFOLS-SQZVAGKESA-N
XLogP2.19
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 24824210) is 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is [18F]c1cccc(N2CCN(Cc3cc4ccccn4n3)CC2)n1.
What is the InChIKey of 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is CECDNRUCUZFOLS-SQZVAGKESA-N. The full InChI is InChI=1S/C17H18FN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2/i18-1.
What are the key properties of 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 310.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 24824210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).