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

C24H32N6O3 — CID 171850086

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

ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171850086) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 171850086
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncccc4-c4cncc(OC)n4)CC3)C2)C1
• InChI: InChI=1S/C24H32N6O3/c1-3-33-23(31)30-16-24(17-30)7-6-18(13-24)28-9-11-29(12-10-28)22-19(5-4-8-26-22)20-14-25-15-21(27-20)32-2/h4-5,8,14-15,18H,3,6-7,9-13,16-17H2,1-2H3/t18-/m1/s1
• InChIKey: NGWPZQXGRCRQOB-GOSISDBHSA-N
• XLogP: 2.68
• TPSA: 83.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 171850086) is ethyl (6R)-6-[4-[3-(6-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-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncccc4-c4cncc(OC)n4)CC3)C2)C1.

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

The InChIKey is NGWPZQXGRCRQOB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-3-33-23(31)30-16-24(17-30)7-6-18(13-24)28-9-11-29(12-10-28)22-19(5-4-8-26-22)20-14-25-15-21(27-20)32-2/h4-5,8,14-15,18H,3,6-7,9-13,16-17H2,1-2H3/t18-/m1/s1.

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

ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 452.56 g/mol, XLogP of 2.68, 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-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171850086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).