2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C22H28N6O3 — CID 154576383

IUPAC2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)Cn4ncccc4=O)CC3)ccc2n1
InChIInChI=1S/C22H28N6O3/c1-22(2,3)17-13-27-18(24-17)6-7-19(25-27)31-15-16-8-11-26(12-9-16)21(30)14-28-20(29)5-4-10-23-28/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3
InChIKeyXKDDJIHMOCYVJQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 154576383) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID154576383
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)Cn4ncccc4=O)CC3)ccc2n1
InChIInChI=1S/C22H28N6O3/c1-22(2,3)17-13-27-18(24-17)6-7-19(25-27)31-15-16-8-11-26(12-9-16)21(30)14-28-20(29)5-4-10-23-28/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3
InChIKeyXKDDJIHMOCYVJQ-UHFFFAOYSA-N
XLogP1.90
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 154576280
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576279
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 154576264
4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 154576239
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 154576307
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
CID 154576499
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 154576383) is 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CC(C)(C)c1cn2nc(OCC3CCN(C(=O)Cn4ncccc4=O)CC3)ccc2n1.
What is the InChIKey of 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is XKDDJIHMOCYVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-22(2,3)17-13-27-18(24-17)6-7-19(25-27)31-15-16-8-11-26(12-9-16)21(30)14-28-20(29)5-4-10-23-28/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3.
What are the key properties of 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 424.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 154576383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).