1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one

C18H23F3N4O2 — CID 154583515

IUPAC1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCc1nc2ccc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)nn2c1C
InChIInChI=1S/C18H23F3N4O2/c1-12-13(2)25-15(22-12)3-4-16(23-25)27-11-14-6-9-24(10-7-14)17(26)5-8-18(19,20)21/h3-4,14H,5-11H2,1-2H3
InChIKeyMNPLYKDRHDXDLT-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one

1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 154583515) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
PubChem CID154583515
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCc1nc2ccc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)nn2c1C
InChIInChI=1S/C18H23F3N4O2/c1-12-13(2)25-15(22-12)3-4-16(23-25)27-11-14-6-9-24(10-7-14)17(26)5-8-18(19,20)21/h3-4,14H,5-11H2,1-2H3
InChIKeyMNPLYKDRHDXDLT-UHFFFAOYSA-N
XLogP3.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one (CID 154583515) is 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one is Cc1nc2ccc(OCC3CCN(C(=O)CCC(F)(F)F)CC3)nn2c1C.
What is the InChIKey of 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is MNPLYKDRHDXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-12-13(2)25-15(22-12)3-4-16(23-25)27-11-14-6-9-24(10-7-14)17(26)5-8-18(19,20)21/h3-4,14H,5-11H2,1-2H3.
What are the key properties of 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 384.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 154583515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).