ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C24H31FN6O3 — CID 171850064

About ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171850064) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 171850064
• Molecular Formula: C24H31FN6O3
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.24
• IUPAC Name: ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4nccc(F)c4-c4nccnc4OC)CC3)C2)C1
• InChI: InChI=1S/C24H31FN6O3/c1-3-34-23(32)31-15-24(16-31)6-4-17(14-24)29-10-12-30(13-11-29)21-19(18(25)5-7-27-21)20-22(33-2)28-9-8-26-20/h5,7-9,17H,3-4,6,10-16H2,1-2H3/t17-/m1/s1
• InChIKey: JGMUHIXINGQNHA-QGZVFWFLSA-N
• XLogP: 2.82
• TPSA: 83.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The IUPAC name of ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 171850064) is ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4nccc(F)c4-c4nccnc4OC)CC3)C2)C1.

What is the InChIKey of ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The InChIKey is JGMUHIXINGQNHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-3-34-23(32)31-15-24(16-31)6-4-17(14-24)29-10-12-30(13-11-29)21-19(18(25)5-7-27-21)20-22(33-2)28-9-8-26-20/h5,7-9,17H,3-4,6,10-16H2,1-2H3/t17-/m1/s1.

What are the key properties of ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-[4-[4-fluoro-3-(3-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171850064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).