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

C20H24N4O — CID 124976327

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

2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 124976327) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 124976327
• Molecular Formula: C20H24N4O
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.20
• IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: CN(C)c1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1
• InChI: InChI=1S/C20H24N4O/c1-23(2)19-13-21-12-17(22-19)18-7-4-10-24(18)20(25)16-9-8-14-5-3-6-15(14)11-16/h8-9,11-13,18H,3-7,10H2,1-2H3/t18-/m0/s1
• InChIKey: LEONKCRQUGEDKU-SFHVURJKSA-N
• XLogP: 3.01
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 124976327) is 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is CN(C)c1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1.

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

The InChIKey is LEONKCRQUGEDKU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23(2)19-13-21-12-17(22-19)18-7-4-10-24(18)20(25)16-9-8-14-5-3-6-15(14)11-16/h8-9,11-13,18H,3-7,10H2,1-2H3/t18-/m0/s1.

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

2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124976327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).