ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C26H31FN6O2 — CID 175629467

About ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 175629467) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 175629467
• Molecular Formula: C26H31FN6O2
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.25
• IUPAC Name: ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncc(F)cc4-c4cccc5cn[nH]c45)CC3)C2)C1
• InChI: InChI=1S/C26H31FN6O2/c1-2-35-25(34)33-16-26(17-33)7-6-20(13-26)31-8-10-32(11-9-31)24-22(12-19(27)15-28-24)21-5-3-4-18-14-29-30-23(18)21/h3-5,12,14-15,20H,2,6-11,13,16-17H2,1H3,(H,29,30)/t20-/m1/s1
• InChIKey: PRMBBTQQXRQVGV-HXUWFJFHSA-N
• XLogP: 3.90
• TPSA: 77.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The IUPAC name of ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 175629467) is ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncc(F)cc4-c4cccc5cn[nH]c45)CC3)C2)C1.

What is the InChIKey of ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The InChIKey is PRMBBTQQXRQVGV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-2-35-25(34)33-16-26(17-33)7-6-20(13-26)31-8-10-32(11-9-31)24-22(12-19(27)15-28-24)21-5-3-4-18-14-29-30-23(18)21/h3-5,12,14-15,20H,2,6-11,13,16-17H2,1H3,(H,29,30)/t20-/m1/s1.

What are the key properties of ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 175629467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).