[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C22H27N5O2 — CID 154576280

IUPAC[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccncc4)CC3)ccc2n1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)29-15-16-8-12-26(13-9-16)21(28)17-6-10-23-11-7-17/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3
InChIKeySYVBHXPRZHNMIU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.35
Rot. Bonds4

About [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 154576280) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID154576280
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccncc4)CC3)ccc2n1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)29-15-16-8-12-26(13-9-16)21(28)17-6-10-23-11-7-17/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3
InChIKeySYVBHXPRZHNMIU-UHFFFAOYSA-N
XLogP3.35
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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-methylimidazol-4-yl)methanone
CID 154576264
[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]-(1,5-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
4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 154576239
2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154576383
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154581438
(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-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 154576449

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 154576280) is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone is CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccncc4)CC3)ccc2n1.
What is the InChIKey of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is SYVBHXPRZHNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)18-14-27-19(24-18)4-5-20(25-27)29-15-16-8-12-26(13-9-16)21(28)17-6-10-23-11-7-17/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3.
What are the key properties of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 393.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 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]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 154576280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).