2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

C17H22N6O3S — CID 154581542

IUPAC2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESCc1cn2nc(OCC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ccc2n1
InChIInChI=1S/C17H22N6O3S/c1-13-10-23-16(19-13)3-4-17(20-23)26-12-14-5-7-22(8-6-14)27(24,25)15-9-18-21(2)11-15/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyXUNBFRBPTOPVRM-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.25
Rot. Bonds5

About 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (PubChem CID 154581542) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
PubChem CID154581542
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESCc1cn2nc(OCC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ccc2n1
InChIInChI=1S/C17H22N6O3S/c1-13-10-23-16(19-13)3-4-17(20-23)26-12-14-5-7-22(8-6-14)27(24,25)15-9-18-21(2)11-15/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyXUNBFRBPTOPVRM-UHFFFAOYSA-N
XLogP1.25
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (CID 154581542) is 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is Cc1cn2nc(OCC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ccc2n1.
What is the InChIKey of 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is XUNBFRBPTOPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-13-10-23-16(19-13)3-4-17(20-23)26-12-14-5-7-22(8-6-14)27(24,25)15-9-18-21(2)11-15/h3-4,9-11,14H,5-8,12H2,1-2H3.
What are the key properties of 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 390.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 154581542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).