8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C21H25N7O4 — CID 135184289

About 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 135184289) has the molecular formula C21H25N7O4 and a molecular weight of 439.48 g/mol. Its IUPAC name is 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 135184289
• Molecular Formula: C21H25N7O4
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.20
• IUPAC Name: 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• SMILES: Cc1nc(C(O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)ccc1-n1cnnn1
• InChI: InChI=1S/C21H25N7O4/c1-14-17(28-13-22-24-25-28)3-2-16(23-14)18(29)11-26-7-4-21(5-8-26)6-9-27(20(21)31)15-10-19(30)32-12-15/h2-3,10,13,18,29H,4-9,11-12H2,1H3
• InChIKey: NQXCEZZKXQVLSD-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 126.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 135184289) is 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(C(O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)ccc1-n1cnnn1.

What is the InChIKey of 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is NQXCEZZKXQVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4/c1-14-17(28-13-22-24-25-28)3-2-16(23-14)18(29)11-26-7-4-21(5-8-26)6-9-27(20(21)31)15-10-19(30)32-12-15/h2-3,10,13,18,29H,4-9,11-12H2,1H3.

What are the key properties of 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 439.48 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 135184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).