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

C19H23FN4O4S — CID 154581531

IUPAC4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C19H23FN4O4S/c20-17-3-1-2-16(12-17)18-4-5-19(22-21-18)28-14-15-6-7-24(13-15)29(25,26)23-8-10-27-11-9-23/h1-5,12,15H,6-11,13-14H2
InChIKeyVVHPTKWENJMKGP-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.56
Rot. Bonds6

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

4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 154581531) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID154581531
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1
InChIInChI=1S/C19H23FN4O4S/c20-17-3-1-2-16(12-17)18-4-5-19(22-21-18)28-14-15-6-7-24(13-15)29(25,26)23-8-10-27-11-9-23/h1-5,12,15H,6-11,13-14H2
InChIKeyVVHPTKWENJMKGP-UHFFFAOYSA-N
XLogP1.56
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581394
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154580520
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
3-[(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methyl]benzoic acid
CID 56886483
3-[[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95710589
3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163353167
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
CID 110147172
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine (CID 154581531) is 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC(COc2ccc(-c3cccc(F)c3)nn2)C1.
What is the InChIKey of 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is VVHPTKWENJMKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c20-17-3-1-2-16(12-17)18-4-5-19(22-21-18)28-14-15-6-7-24(13-15)29(25,26)23-8-10-27-11-9-23/h1-5,12,15H,6-11,13-14H2.
What are the key properties of 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine?
4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 422.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 154581531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).