[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C20H24N4O3 — CID 100619286

About [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 100619286) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
• PubChem CID: 100619286
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
• SMILES: CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1
• InChI: InChI=1S/C20H24N4O3/c1-23(2)18-10-21-11-19(22-18)27-16-7-8-24(12-16)20(25)17-9-14-5-3-4-6-15(14)13-26-17/h3-6,10-11,16-17H,7-9,12-13H2,1-2H3/t16-,17+/m0/s1
• InChIKey: ZPKSVLCGVWBQGW-DLBZAZTESA-N
• XLogP: 1.66
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The IUPAC name of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 100619286) is [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

What is the SMILES notation for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The canonical SMILES for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1.

What is the InChIKey of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The InChIKey is ZPKSVLCGVWBQGW-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(2)18-10-21-11-19(22-18)27-16-7-8-24(12-16)20(25)17-9-14-5-3-4-6-15(14)13-26-17/h3-6,10-11,16-17H,7-9,12-13H2,1-2H3/t16-,17+/m0/s1.

What are the key properties of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100619286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).