4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine

C19H24N4O4S — CID 154581394

IUPAC4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H24N4O4S/c24-28(25,22-10-12-26-13-11-22)23-9-8-16(14-23)15-27-19-7-6-18(20-21-19)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyFIKNDOQVGQFELB-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.42
Rot. Bonds6

About 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine

4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 154581394) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID154581394
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H24N4O4S/c24-28(25,22-10-12-26-13-11-22)23-9-8-16(14-23)15-27-19-7-6-18(20-21-19)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyFIKNDOQVGQFELB-UHFFFAOYSA-N
XLogP1.42
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581531
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531
3-[[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95710589
3-[(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methyl]benzoic acid
CID 56886483
3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163353167
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154580520

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine (CID 154581394) is 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is FIKNDOQVGQFELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-28(25,22-10-12-26-13-11-22)23-9-8-16(14-23)15-27-19-7-6-18(20-21-19)17-4-2-1-3-5-17/h1-7,16H,8-15H2.
What are the key properties of 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 404.49 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 154581394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).