5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one

C19H14F3N3O3S — CID 54518869

About 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one

5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one (PubChem CID 54518869) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one
• PubChem CID: 54518869
• Molecular Formula: C19H14F3N3O3S
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.07
• IUPAC Name: 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one
• SMILES: O=C(c1c[nH]c(=O)cn1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C19H14F3N3O3S/c20-19(21,22)28-12-3-1-11(2-4-12)17-13-6-8-29-15(13)5-7-25(17)18(27)14-9-24-16(26)10-23-14/h1-4,6,8-10,17H,5,7H2,(H,24,26)
• InChIKey: YOIRQSDRTBWJMM-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one?

The IUPAC name of 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one (CID 54518869) is 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one.

What is the SMILES notation for 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one?

The canonical SMILES for 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one?

The InChIKey is YOIRQSDRTBWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c20-19(21,22)28-12-3-1-11(2-4-12)17-13-6-8-29-15(13)5-7-25(17)18(27)14-9-24-16(26)10-23-14/h1-4,6,8-10,17H,5,7H2,(H,24,26).

What are the key properties of 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one?

5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one has a molecular weight of 421.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 54518869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).