(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone

C18H22F2N4O2 — CID 163358243

IUPAC(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1cn2nc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)ccc2n1
InChIInChI=1S/C18H22F2N4O2/c1-12-10-24-15(21-12)2-3-16(22-24)26-11-13-4-6-23(7-5-13)17(25)14-8-18(19,20)9-14/h2-3,10,13-14H,4-9,11H2,1H3
InChIKeyDSGJZZUYAAOQSE-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.70
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone

(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone (PubChem CID 163358243) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
PubChem CID163358243
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1cn2nc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)ccc2n1
InChIInChI=1S/C18H22F2N4O2/c1-12-10-24-15(21-12)2-3-16(22-24)26-11-13-4-6-23(7-5-13)17(25)14-8-18(19,20)9-14/h2-3,10,13-14H,4-9,11H2,1H3
InChIKeyDSGJZZUYAAOQSE-UHFFFAOYSA-N
XLogP2.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
2-methyl-6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
CID 154581542
[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]-(1,5-dimethylpyrazol-3-yl)methanone
CID 154576307
[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-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576279
9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine
CID 154580530
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576272

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone (CID 163358243) is (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone is Cc1cn2nc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)ccc2n1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone?
The InChIKey is DSGJZZUYAAOQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-12-10-24-15(21-12)2-3-16(22-24)26-11-13-4-6-23(7-5-13)17(25)14-8-18(19,20)9-14/h2-3,10,13-14H,4-9,11H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone?
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone has a molecular weight of 364.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 163358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).