4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one

C17H21F3N4O2 — CID 154583514

IUPAC4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one
SMILESCc1cn2nc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C17H21F3N4O2/c1-12-10-24-14(21-12)2-3-15(22-24)26-11-13-5-8-23(9-6-13)16(25)4-7-17(18,19)20/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCMHFVWBTMATDKP-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.00
Rot. Bonds5

About 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one (PubChem CID 154583514) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one
PubChem CID154583514
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one
SMILESCc1cn2nc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)ccc2n1
InChIInChI=1S/C17H21F3N4O2/c1-12-10-24-14(21-12)2-3-15(22-24)26-11-13-5-8-23(9-6-13)16(25)4-7-17(18,19)20/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCMHFVWBTMATDKP-UHFFFAOYSA-N
XLogP3.00
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one (CID 154583514) is 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one is Cc1cn2nc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)ccc2n1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The InChIKey is CMHFVWBTMATDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-12-10-24-14(21-12)2-3-15(22-24)26-11-13-5-8-23(9-6-13)16(25)4-7-17(18,19)20/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one has a molecular weight of 370.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 154583514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).