(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone

C16H22N4O — CID 154830696

IUPAC(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cn2nc(C(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-11-20-14(17-13)8-7-12(18-20)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZPFPAOGDCVGEMT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds1

About (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone

(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone (PubChem CID 154830696) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone
PubChem CID154830696
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cn2nc(C(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-11-20-14(17-13)8-7-12(18-20)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZPFPAOGDCVGEMT-UHFFFAOYSA-N
XLogP2.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
CID 10333832
[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-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]-pyridin-4-ylmethanone
CID 154576280
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 87050991
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone (CID 154830696) is (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone is CC(C)(C)c1cn2nc(C(=O)N3CCCCC3)ccc2n1.
What is the InChIKey of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is ZPFPAOGDCVGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)13-11-20-14(17-13)8-7-12(18-20)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone?
(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 154830696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).