2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C21H26N4O — CID 127247055

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 127247055) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 127247055
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: CN(C)c1cncc(C2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1
• InChI: InChI=1S/C21H26N4O/c1-24(2)20-14-22-13-18(23-20)19-7-4-10-25(19)21(26)12-15-8-9-16-5-3-6-17(16)11-15/h8-9,11,13-14,19H,3-7,10,12H2,1-2H3
• InChIKey: SFHVPPJZEDSODF-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 127247055) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CN(C)c1cncc(C2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is SFHVPPJZEDSODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24(2)20-14-22-13-18(23-20)19-7-4-10-25(19)21(26)12-15-8-9-16-5-3-6-17(16)11-15/h8-9,11,13-14,19H,3-7,10,12H2,1-2H3.

What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 350.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127247055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).