5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H15N3S — CID 166201249

IUPAC5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(-c2cncc(N3CCc4sccc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-10-18-11-17(19-15)20-8-6-16-14(12-20)7-9-21-16/h1-5,7,9-11H,6,8,12H2
InChIKeyBCHNZEJBKULXOJ-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.77
Rot. Bonds2

About 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 166201249) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID166201249
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(-c2cncc(N3CCc4sccc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-10-18-11-17(19-15)20-8-6-16-14(12-20)7-9-21-16/h1-5,7,9-11H,6,8,12H2
InChIKeyBCHNZEJBKULXOJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 166201249) is 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ccc(-c2cncc(N3CCc4sccc4C3)n2)cc1.
What is the InChIKey of 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BCHNZEJBKULXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-10-18-11-17(19-15)20-8-6-16-14(12-20)7-9-21-16/h1-5,7,9-11H,6,8,12H2.
What are the key properties of 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 293.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 166201249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).