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

C16H21F3N4O3S — CID 154581412

IUPAC2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESCc1cn2nc(OCC3CCN(S(=O)(=O)CCC(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C16H21F3N4O3S/c1-12-10-23-14(20-12)2-3-15(21-23)26-11-13-4-7-22(8-5-13)27(24,25)9-6-16(17,18)19/h2-3,10,13H,4-9,11H2,1H3
InChIKeyPQRMULVZBRICHS-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.41
Rot. Bonds6

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

2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (PubChem CID 154581412) has the molecular formula C16H21F3N4O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
PubChem CID154581412
Molecular FormulaC16H21F3N4O3S
Molecular Weight406.43 g/mol
Exact Mass406.13
IUPAC Name2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESCc1cn2nc(OCC3CCN(S(=O)(=O)CCC(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C16H21F3N4O3S/c1-12-10-23-14(20-12)2-3-15(21-23)26-11-13-4-7-22(8-5-13)27(24,25)9-6-16(17,18)19/h2-3,10,13H,4-9,11H2,1H3
InChIKeyPQRMULVZBRICHS-UHFFFAOYSA-N
XLogP2.41
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (CID 154581412) is 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is Cc1cn2nc(OCC3CCN(S(=O)(=O)CCC(F)(F)F)CC3)ccc2n1.
What is the InChIKey of 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is PQRMULVZBRICHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3S/c1-12-10-23-14(20-12)2-3-15(21-23)26-11-13-4-7-22(8-5-13)27(24,25)9-6-16(17,18)19/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 406.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 154581412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).