4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine

C19H18FN3OS — CID 133379408

IUPAC4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccsc2)O1
InChIInChI=1S/C19H18FN3OS/c1-13-10-23(11-18(24-13)15-8-9-25-12-15)19-7-6-17(21-22-19)14-2-4-16(20)5-3-14/h2-9,12-13,18H,10-11H2,1H3
InChIKeyOHFXAVZKNLQXHB-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.31
Rot. Bonds3

About 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine

4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine (PubChem CID 133379408) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine
PubChem CID133379408
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccsc2)O1
InChIInChI=1S/C19H18FN3OS/c1-13-10-23(11-18(24-13)15-8-9-25-12-15)19-7-6-17(21-22-19)14-2-4-16(20)5-3-14/h2-9,12-13,18H,10-11H2,1H3
InChIKeyOHFXAVZKNLQXHB-UHFFFAOYSA-N
XLogP4.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine (CID 133379408) is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine is CC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccsc2)O1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine?
The InChIKey is OHFXAVZKNLQXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13-10-23(11-18(24-13)15-8-9-25-12-15)19-7-6-17(21-22-19)14-2-4-16(20)5-3-14/h2-9,12-13,18H,10-11H2,1H3.
What are the key properties of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine?
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine has a molecular weight of 355.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).