8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

C21H24FN7O3 — CID 122452778

IUPAC8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1C=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CC1
InChIInChI=1S/C21H24FN7O3/c22-17-9-14(11-23-19(17)29-13-24-25-26-29)18(31)12-27-6-3-21(4-7-27)5-8-28(20(21)32)15-1-2-16(30)10-15/h9-11,13,18,31H,1-8,12H2
InChIKeyQGIPFDOEKRQSKR-UHFFFAOYSA-N
MW441.47 g/mol
LogP0.79
Rot. Bonds5

About 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 122452778) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID122452778
Molecular FormulaC21H24FN7O3
Molecular Weight441.47 g/mol
Exact Mass441.19
IUPAC Name8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1C=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CC1
InChIInChI=1S/C21H24FN7O3/c22-17-9-14(11-23-19(17)29-13-24-25-26-29)18(31)12-27-6-3-21(4-7-27)5-8-28(20(21)32)15-1-2-16(30)10-15/h9-11,13,18,31H,1-8,12H2
InChIKeyQGIPFDOEKRQSKR-UHFFFAOYSA-N
XLogP0.79
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 122452778) is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is O=C1C=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CC1.
What is the InChIKey of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QGIPFDOEKRQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O3/c22-17-9-14(11-23-19(17)29-13-24-25-26-29)18(31)12-27-6-3-21(4-7-27)5-8-28(20(21)32)15-1-2-16(30)10-15/h9-11,13,18,31H,1-8,12H2.
What are the key properties of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 441.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 122452778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).