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

C21H20FN3O — CID 133274561

IUPAC4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccccc2)O1
InChIInChI=1S/C21H20FN3O/c1-15-13-25(14-20(26-15)17-5-3-2-4-6-17)21-12-11-19(23-24-21)16-7-9-18(22)10-8-16/h2-12,15,20H,13-14H2,1H3
InChIKeySFBIUTLNKMYWBX-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.25
Rot. Bonds3

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

4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine (PubChem CID 133274561) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine
PubChem CID133274561
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccccc2)O1
InChIInChI=1S/C21H20FN3O/c1-15-13-25(14-20(26-15)17-5-3-2-4-6-17)21-12-11-19(23-24-21)16-7-9-18(22)10-8-16/h2-12,15,20H,13-14H2,1H3
InChIKeySFBIUTLNKMYWBX-UHFFFAOYSA-N
XLogP4.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine (CID 133274561) is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine is CC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccccc2)O1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine?
The InChIKey is SFBIUTLNKMYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-13-25(14-20(26-15)17-5-3-2-4-6-17)21-12-11-19(23-24-21)16-7-9-18(22)10-8-16/h2-12,15,20H,13-14H2,1H3.
What are the key properties of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine?
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine has a molecular weight of 349.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 133274561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).