9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one

C22H26N8O5 — CID 135184243

About 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one

9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one (PubChem CID 135184243) has the molecular formula C22H26N8O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one.

Molecular Properties

• Compound Name: 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
• PubChem CID: 135184243
• Molecular Formula: C22H26N8O5
• Molecular Weight: 482.50 g/mol
• Exact Mass: 482.20
• IUPAC Name: 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
• SMILES: CC1=C(N2CCC3(CC4COCC(C3)N4CC(O)c3cnc(-n4cnnn4)cn3)C2=O)COC1=O
• InChI: InChI=1S/C22H26N8O5/c1-13-17(11-35-20(13)32)28-3-2-22(21(28)33)4-14-9-34-10-15(5-22)29(14)8-18(31)16-6-24-19(7-23-16)30-12-25-26-27-30/h6-7,12,14-15,18,31H,2-5,8-11H2,1H3
• InChIKey: LRHXZELHBRDFGW-UHFFFAOYSA-N
• XLogP: -0.60
• TPSA: 148.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.50
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?

The IUPAC name of 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one (CID 135184243) is 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one.

What is the SMILES notation for 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?

The canonical SMILES for 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one is CC1=C(N2CCC3(CC4COCC(C3)N4CC(O)c3cnc(-n4cnnn4)cn3)C2=O)COC1=O.

What is the InChIKey of 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?

The InChIKey is LRHXZELHBRDFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O5/c1-13-17(11-35-20(13)32)28-3-2-22(21(28)33)4-14-9-34-10-15(5-22)29(14)8-18(31)16-6-24-19(7-23-16)30-12-25-26-27-30/h6-7,12,14-15,18,31H,2-5,8-11H2,1H3.

What are the key properties of 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?

9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one has a molecular weight of 482.50 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 135184243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).