6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

C15H19F3N4O3S — CID 154576254

IUPAC6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C15H19F3N4O3S/c16-15(17,18)5-10-26(23,24)21-7-3-12(4-8-21)11-25-14-2-1-13-19-6-9-22(13)20-14/h1-2,6,9,12H,3-5,7-8,10-11H2
InChIKeyKVNFNEPEQGPJGO-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.10
Rot. Bonds6

About 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (PubChem CID 154576254) has the molecular formula C15H19F3N4O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
PubChem CID154576254
Molecular FormulaC15H19F3N4O3S
Molecular Weight392.40 g/mol
Exact Mass392.11
IUPAC Name6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C15H19F3N4O3S/c16-15(17,18)5-10-26(23,24)21-7-3-12(4-8-21)11-25-14-2-1-13-19-6-9-22(13)20-14/h1-2,6,9,12H,3-5,7-8,10-11H2
InChIKeyKVNFNEPEQGPJGO-UHFFFAOYSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (CID 154576254) is 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is O=S(=O)(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is KVNFNEPEQGPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3S/c16-15(17,18)5-10-26(23,24)21-7-3-12(4-8-21)11-25-14-2-1-13-19-6-9-22(13)20-14/h1-2,6,9,12H,3-5,7-8,10-11H2.
What are the key properties of 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 392.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 154576254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).