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

C21H28N6O2 — CID 154576264

IUPAC[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1
InChIInChI=1S/C21H28N6O2/c1-21(2,3)17-12-27-18(23-17)5-6-19(24-27)29-13-15-7-9-26(10-8-15)20(28)16-11-25(4)14-22-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3
InChIKeyZXJFOCBKNVQTHP-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.69
Rot. Bonds4

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

[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 154576264) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID154576264
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1
InChIInChI=1S/C21H28N6O2/c1-21(2,3)17-12-27-18(23-17)5-6-19(24-27)29-13-15-7-9-26(10-8-15)20(28)16-11-25(4)14-22-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3
InChIKeyZXJFOCBKNVQTHP-UHFFFAOYSA-N
XLogP2.69
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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-2-ylmethanone
CID 154576279
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 154576280
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]piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
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
(2,5-dimethylfuran-3-yl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 154581448
[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154581438
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 154576264) is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1.
What is the InChIKey of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is ZXJFOCBKNVQTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-21(2,3)17-12-27-18(23-17)5-6-19(24-27)29-13-15-7-9-26(10-8-15)20(28)16-11-25(4)14-22-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3.
What are the key properties of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 154576264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).