5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

C17H20N4OS — CID 175652542

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 175652542) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 175652542
• Molecular Formula: C17H20N4OS
• Molecular Weight: 328.44 g/mol
• Exact Mass: 328.14
• IUPAC Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: CNc1cncc(C2CCCN2C(=O)c2cc3c(s2)CCC3)n1
• InChI: InChI=1S/C17H20N4OS/c1-18-16-10-19-9-12(20-16)13-5-3-7-21(13)17(22)15-8-11-4-2-6-14(11)23-15/h8-10,13H,2-7H2,1H3,(H,18,20)
• InChIKey: ZBUFPFDAFPUUPE-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.44
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 175652542) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is CNc1cncc(C2CCCN2C(=O)c2cc3c(s2)CCC3)n1.

What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is ZBUFPFDAFPUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-18-16-10-19-9-12(20-16)13-5-3-7-21(13)17(22)15-8-11-4-2-6-14(11)23-15/h8-10,13H,2-7H2,1H3,(H,18,20).

What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 328.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 175652542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).