ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C26H34FN5O3 — CID 175631729

About ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 175631729) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 g/mol. Its IUPAC name is ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 175631729
• Molecular Formula: C26H34FN5O3
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.26
• IUPAC Name: ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CCOC(=O)N1CC2(CCC(N3CCN(c4ncc(F)cc4-c4ccc(OC)nc4C)CC3)C2)C1
• InChI: InChI=1S/C26H34FN5O3/c1-4-35-25(33)32-16-26(17-32)8-7-20(14-26)30-9-11-31(12-10-30)24-22(13-19(27)15-28-24)21-5-6-23(34-3)29-18(21)2/h5-6,13,15,20H,4,7-12,14,16-17H2,1-3H3
• InChIKey: DJOAXQGHVAPMRW-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 71.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The IUPAC name of ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 175631729) is ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CCC(N3CCN(c4ncc(F)cc4-c4ccc(OC)nc4C)CC3)C2)C1.

What is the InChIKey of ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The InChIKey is DJOAXQGHVAPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-4-35-25(33)32-16-26(17-32)8-7-20(14-26)30-9-11-31(12-10-30)24-22(13-19(27)15-28-24)21-5-6-23(34-3)29-18(21)2/h5-6,13,15,20H,4,7-12,14,16-17H2,1-3H3.

What are the key properties of ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 483.59 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 175631729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).