[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C19H27N5O4S — CID 154576322

IUPAC[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)CC1
InChIInChI=1S/C19H27N5O4S/c1-29(26,27)23-11-6-16(7-12-23)19(25)22-9-4-15(5-10-22)14-28-18-3-2-17-20-8-13-24(17)21-18/h2-3,8,13,15-16H,4-7,9-12,14H2,1H3
InChIKeyXLKJHGPJSPXWJS-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.02
Rot. Bonds5

About [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 154576322) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID154576322
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)CC1
InChIInChI=1S/C19H27N5O4S/c1-29(26,27)23-11-6-16(7-12-23)19(25)22-9-4-15(5-10-22)14-28-18-3-2-17-20-8-13-24(17)21-18/h2-3,8,13,15-16H,4-7,9-12,14H2,1H3
InChIKeyXLKJHGPJSPXWJS-UHFFFAOYSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Fluoro-4-[4-({imidazo[1,2-b]pyridazin-6-yloxy}methyl)piperidin-1-yl]pyrimidine
CID 154575369
1-(3,3-Difluorocyclobutanecarbonyl)-4-({imidazo[1,2-b]pyridazin-6-yloxy}methyl)piperidine
CID 154576041
4,4,4-Trifluoro-1-[4-({imidazo[1,2-b]pyridazin-6-yloxy}methyl)piperidin-1-yl]butan-1-one
CID 154576092
4-[({2-Tert-butylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]-1-(3,3-difluorocyclobutanecarbonyl)piperidine
CID 154576120
4-({Imidazo[1,2-b]pyridazin-6-yloxy}methyl)-1-(3,3,3-trifluoropropanesulfonyl)piperidine
CID 154576254
4-[({2-Methylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]-1-(3,3,3-trifluoropropanesulfonyl)piperidine
CID 154581412
4,4,4-Trifluoro-1-{4-[({2-methylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]piperidin-1-yl}butan-1-one
CID 154583514
1-{4-[({2,3-Dimethylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]piperidin-1-yl}-4,4,4-trifluorobutan-1-one
CID 154583515
1-(3,3-Difluorocyclobutanecarbonyl)-4-[({2-methylimidazo[1,2-b]pyridazin-6-yl}oxy)methyl]piperidine
CID 163358243
6-[(2,2-Diethyl-3-sulfamoylpropyl)oxy]imidazo[1,2-b]pyridazine
CID 9861570
6-[(2,2-Dimethyl-3-sulfamoylpropyl)oxy]imidazo[1,2-b]pyridazine
CID 10085284
3-Imidazo[1,2-b]pyridazin-6-yloxy-2-methylpropane-1-sulfonamide
CID 10588105

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 154576322) is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)CC1.
What is the InChIKey of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is XLKJHGPJSPXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-29(26,27)23-11-6-16(7-12-23)19(25)22-9-4-15(5-10-22)14-28-18-3-2-17-20-8-13-24(17)21-18/h2-3,8,13,15-16H,4-7,9-12,14H2,1H3.
What are the key properties of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 421.52 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 154576322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).