6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one

C20H18FN3O2S — CID 55633130

About 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one

6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 55633130) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
• PubChem CID: 55633130
• Molecular Formula: C20H18FN3O2S
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.11
• IUPAC Name: 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
• SMILES: CCC1c2ccsc2CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C20H18FN3O2S/c1-2-17-15-10-12-27-18(15)9-11-23(17)20(26)16-7-8-19(25)24(22-16)14-5-3-13(21)4-6-14/h3-8,10,12,17H,2,9,11H2,1H3
• InChIKey: OPHMJVRNIWEOGR-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one?

The IUPAC name of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one (CID 55633130) is 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one.

What is the SMILES notation for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one?

The canonical SMILES for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one is CCC1c2ccsc2CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.

What is the InChIKey of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one?

The InChIKey is OPHMJVRNIWEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-2-17-15-10-12-27-18(15)9-11-23(17)20(26)16-7-8-19(25)24(22-16)14-5-3-13(21)4-6-14/h3-8,10,12,17H,2,9,11H2,1H3.

What are the key properties of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one?

6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 383.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 55633130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).