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

C20H22N4O4S — CID 154576433

IUPAC[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C20H22N4O4S/c1-29(26,27)17-5-3-2-4-16(17)20(25)23-11-8-15(9-12-23)14-28-19-7-6-18-21-10-13-24(18)22-19/h2-7,10,13,15H,8-9,11-12,14H2,1H3
InChIKeyPEXDHYRJSCHUNO-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.06
Rot. Bonds5

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

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone (PubChem CID 154576433) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
PubChem CID154576433
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C20H22N4O4S/c1-29(26,27)17-5-3-2-4-16(17)20(25)23-11-8-15(9-12-23)14-28-19-7-6-18-21-10-13-24(18)22-19/h2-7,10,13,15H,8-9,11-12,14H2,1H3
InChIKeyPEXDHYRJSCHUNO-UHFFFAOYSA-N
XLogP2.06
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576272
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 154576449
N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
CID 154576436
1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
CID 154576499
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
[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]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
[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-4-ylmethanone
CID 154576280

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone (CID 154576433) is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccccc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The InChIKey is PEXDHYRJSCHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-29(26,27)17-5-3-2-4-16(17)20(25)23-11-8-15(9-12-23)14-28-19-7-6-18-21-10-13-24(18)22-19/h2-7,10,13,15H,8-9,11-12,14H2,1H3.
What are the key properties of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone?
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone has a molecular weight of 414.49 g/mol, XLogP of 2.06, 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]-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 154576433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).