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

C21H21N3O2S — CID 51925321

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

2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one (PubChem CID 51925321) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
• PubChem CID: 51925321
• Molecular Formula: C21H21N3O2S
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.14
• IUPAC Name: 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
• SMILES: CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1
• InChI: InChI=1S/C21H21N3O2S/c1-2-18-16-11-13-27-19(16)10-12-23(18)21(26)17-8-9-20(25)24(22-17)14-15-6-4-3-5-7-15/h3-9,11,13,18H,2,10,12,14H2,1H3/t18-/m1/s1
• InChIKey: KNJFWTOGURWOMD-GOSISDBHSA-N
• XLogP: 3.50
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one (CID 51925321) is 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one.

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

The canonical SMILES for 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one is CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1.

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

The InChIKey is KNJFWTOGURWOMD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-2-18-16-11-13-27-19(16)10-12-23(18)21(26)17-8-9-20(25)24(22-17)14-15-6-4-3-5-7-15/h3-9,11,13,18H,2,10,12,14H2,1H3/t18-/m1/s1.

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

2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one has a molecular weight of 379.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one is sourced from PubChem (CID 51925321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).