5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole

C17H22N6O — CID 91842697

IUPAC5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CN2CCN(c3ccc4nccn4n3)CC2)on1
InChIInChI=1S/C17H22N6O/c1-13(2)15-11-14(24-20-15)12-21-7-9-22(10-8-21)17-4-3-16-18-5-6-23(16)19-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyOJJTUQQLHDOSHH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds4

About 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole

5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole (PubChem CID 91842697) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole
PubChem CID91842697
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CN2CCN(c3ccc4nccn4n3)CC2)on1
InChIInChI=1S/C17H22N6O/c1-13(2)15-11-14(24-20-15)12-21-7-9-22(10-8-21)17-4-3-16-18-5-6-23(16)19-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyOJJTUQQLHDOSHH-UHFFFAOYSA-N
XLogP2.16
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole 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 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole (CID 91842697) is 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(CN2CCN(c3ccc4nccn4n3)CC2)on1.
What is the InChIKey of 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is OJJTUQQLHDOSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13(2)15-11-14(24-20-15)12-21-7-9-22(10-8-21)17-4-3-16-18-5-6-23(16)19-17/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole?
5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 91842697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).