[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

C19H28N6O — CID 126435191

IUPAC[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESCCN1CCC[C@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1
InChIInChI=1S/C19H28N6O/c1-3-22-9-4-7-19(2,15-22)18(26)24-13-11-23(12-14-24)17-6-5-16-20-8-10-25(16)21-17/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3/t19-/m0/s1
InChIKeyVWZDOBCXBWOVGK-IBGZPJMESA-N
MW356.47 g/mol
LogP1.50
Rot. Bonds3

About [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (PubChem CID 126435191) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
PubChem CID126435191
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESCCN1CCC[C@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1
InChIInChI=1S/C19H28N6O/c1-3-22-9-4-7-19(2,15-22)18(26)24-13-11-23(12-14-24)17-6-5-16-20-8-10-25(16)21-17/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3/t19-/m0/s1
InChIKeyVWZDOBCXBWOVGK-IBGZPJMESA-N
XLogP1.50
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone 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 [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (CID 126435191) is [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is CCN1CCC[C@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1.
What is the InChIKey of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The InChIKey is VWZDOBCXBWOVGK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-22-9-4-7-19(2,15-22)18(26)24-13-11-23(12-14-24)17-6-5-16-20-8-10-25(16)21-17/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3/t19-/m0/s1.
What are the key properties of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126435191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).