6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

C15H16BrN5S — CID 71850453

IUPAC6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESBrc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)s1
InChIInChI=1S/C15H16BrN5S/c16-13-2-1-12(22-13)11-19-7-9-20(10-8-19)15-4-3-14-17-5-6-21(14)18-15/h1-6H,7-11H2
InChIKeySEYJDHUCWBUMKB-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.88
Rot. Bonds3

About 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine

6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 71850453) has the molecular formula C15H16BrN5S and a molecular weight of 378.30 g/mol. Its IUPAC name is 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID71850453
Molecular FormulaC15H16BrN5S
Molecular Weight378.30 g/mol
Exact Mass377.03
IUPAC Name6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESBrc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)s1
InChIInChI=1S/C15H16BrN5S/c16-13-2-1-12(22-13)11-19-7-9-20(10-8-19)15-4-3-14-17-5-6-21(14)18-15/h1-6H,7-11H2
InChIKeySEYJDHUCWBUMKB-UHFFFAOYSA-N
XLogP2.88
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine (CID 71850453) is 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is Brc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)s1.
What is the InChIKey of 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is SEYJDHUCWBUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5S/c16-13-2-1-12(22-13)11-19-7-9-20(10-8-19)15-4-3-14-17-5-6-21(14)18-15/h1-6H,7-11H2.
What are the key properties of 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine?
6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 378.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 71850453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).