4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide

C22H27N5O2 — CID 59175565

IUPAC4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(OC4CCNCC4)ccc3n2)cc1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)16-6-4-15(5-7-16)21(28)25-18-14-27-19(24-18)8-9-20(26-27)29-17-10-12-23-13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,25,28)
InChIKeyXVEDURRUUXNHLU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.41
Rot. Bonds4

About 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide

4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide (PubChem CID 59175565) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide
PubChem CID59175565
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(OC4CCNCC4)ccc3n2)cc1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)16-6-4-15(5-7-16)21(28)25-18-14-27-19(24-18)8-9-20(26-27)29-17-10-12-23-13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,25,28)
InChIKeyXVEDURRUUXNHLU-UHFFFAOYSA-N
XLogP3.41
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175265
4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175252
4-tert-butyl-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;formic acid;hydroperoxymethane
CID 159619861
4-tert-butyl-N-(5-methylimidazo[1,2-a]pyridin-2-yl)benzamide;hydrochloride
CID 68661288
N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
CID 149149599
4-tert-butyl-N-[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 157242131
6-tert-butyl-N-(6-methylimidazo[1,2-b]pyridazin-2-yl)pyridine-3-carboxamide;ethane
CID 143620278
N-[6-(azepan-1-yl)imidazo[1,2-b]pyridazin-2-yl]-4-tert-butylbenzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid
CID 159726042
4-tert-butyl-N-[6-(4-phenylimidazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 162323926
4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175271
4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59175370

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide (CID 59175565) is 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3nc(OC4CCNCC4)ccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide?
The InChIKey is XVEDURRUUXNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)16-6-4-15(5-7-16)21(28)25-18-14-27-19(24-18)8-9-20(26-27)29-17-10-12-23-13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,25,28).
What are the key properties of 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide?
4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide is sourced from PubChem (CID 59175565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).