3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C17H18BrN5 — CID 24823921

IUPAC3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESBrc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1
InChIInChI=1S/C17H18BrN5/c18-16-5-3-6-17(20-16)22-10-8-21(9-11-22)13-14-12-19-23-7-2-1-4-15(14)23/h1-7,12H,8-11,13H2
InChIKeyRMXWGHDSQFWKHG-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.81
Rot. Bonds3

About 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 24823921) has the molecular formula C17H18BrN5 and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID24823921
Molecular FormulaC17H18BrN5
Molecular Weight372.27 g/mol
Exact Mass371.07
IUPAC Name3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESBrc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1
InChIInChI=1S/C17H18BrN5/c18-16-5-3-6-17(20-16)22-10-8-21(9-11-22)13-14-12-19-23-7-2-1-4-15(14)23/h1-7,12H,8-11,13H2
InChIKeyRMXWGHDSQFWKHG-UHFFFAOYSA-N
XLogP2.81
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.81
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 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 24823921) is 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is Brc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)n1.
What is the InChIKey of 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is RMXWGHDSQFWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5/c18-16-5-3-6-17(20-16)22-10-8-21(9-11-22)13-14-12-19-23-7-2-1-4-15(14)23/h1-7,12H,8-11,13H2.
What are the key properties of 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 372.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 24823921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).