3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

C19H20FN5O3S — CID 154581567

IUPAC3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1cnc(S(=O)(=O)N2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)c1
InChIInChI=1S/C19H20FN5O3S/c1-24-11-19(21-13-24)29(26,27)25-8-7-14(10-25)12-28-18-6-5-17(22-23-18)15-3-2-4-16(20)9-15/h2-6,9,11,13-14H,7-8,10,12H2,1H3
InChIKeyKCLLIAIUMWJJIH-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.11
Rot. Bonds6

About 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (PubChem CID 154581567) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
PubChem CID154581567
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1cnc(S(=O)(=O)N2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)c1
InChIInChI=1S/C19H20FN5O3S/c1-24-11-19(21-13-24)29(26,27)25-8-7-14(10-25)12-28-18-6-5-17(22-23-18)15-3-2-4-16(20)9-15/h2-6,9,11,13-14H,7-8,10,12H2,1H3
InChIKeyKCLLIAIUMWJJIH-UHFFFAOYSA-N
XLogP2.11
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The IUPAC name of 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (CID 154581567) is 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The canonical SMILES for 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is Cn1cnc(S(=O)(=O)N2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The InChIKey is KCLLIAIUMWJJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-24-11-19(21-13-24)29(26,27)25-8-7-14(10-25)12-28-18-6-5-17(22-23-18)15-3-2-4-16(20)9-15/h2-6,9,11,13-14H,7-8,10,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine has a molecular weight of 417.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is sourced from PubChem (CID 154581567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).