4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide

C22H33N5O3 — CID 154576239

IUPAC4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)NC4CCOCC4)CC3)ccc2n1
InChIInChI=1S/C22H33N5O3/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)30-15-16-6-10-26(11-7-16)21(28)23-17-8-12-29-13-9-17/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,23,28)
InChIKeyWADNLTXZIRTJLJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.01
Rot. Bonds4

About 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide

4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 154576239) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID154576239
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)NC4CCOCC4)CC3)ccc2n1
InChIInChI=1S/C22H33N5O3/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)30-15-16-6-10-26(11-7-16)21(28)23-17-8-12-29-13-9-17/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,23,28)
InChIKeyWADNLTXZIRTJLJ-UHFFFAOYSA-N
XLogP3.01
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

[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]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]-(1,5-dimethylpyrazol-3-yl)methanone
CID 154576307
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154576383
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 126766845
(2,5-dimethylfuran-3-yl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 154581448
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide (CID 154576239) is 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide is CC(C)(C)c1cn2nc(OCC3CCN(C(=O)NC4CCOCC4)CC3)ccc2n1.
What is the InChIKey of 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is WADNLTXZIRTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)30-15-16-6-10-26(11-7-16)21(28)23-17-8-12-29-13-9-17/h4-5,14,16-17H,6-13,15H2,1-3H3,(H,23,28).
What are the key properties of 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154576239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).