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

C22H26FN7O3 — CID 122452777

IUPAC8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CCC1=O
InChIInChI=1S/C22H26FN7O3/c1-14-17(2-3-18(14)31)29-9-6-22(21(29)33)4-7-28(8-5-22)12-19(32)15-10-16(23)20(24-11-15)30-13-25-26-27-30/h10-11,13,19,32H,2-9,12H2,1H3
InChIKeyYIILANIOXFMOTL-UHFFFAOYSA-N
MW455.49 g/mol
LogP1.18
Rot. Bonds5

About 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 122452777) has the molecular formula C22H26FN7O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID122452777
Molecular FormulaC22H26FN7O3
Molecular Weight455.49 g/mol
Exact Mass455.21
IUPAC Name8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CCC1=O
InChIInChI=1S/C22H26FN7O3/c1-14-17(2-3-18(14)31)29-9-6-22(21(29)33)4-7-28(8-5-22)12-19(32)15-10-16(23)20(24-11-15)30-13-25-26-27-30/h10-11,13,19,32H,2-9,12H2,1H3
InChIKeyYIILANIOXFMOTL-UHFFFAOYSA-N
XLogP1.18
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-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-(2-methyl-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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 122452777) is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-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-(2-methyl-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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)CCC1=O.
What is the InChIKey of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YIILANIOXFMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O3/c1-14-17(2-3-18(14)31)29-9-6-22(21(29)33)4-7-28(8-5-22)12-19(32)15-10-16(23)20(24-11-15)30-13-25-26-27-30/h10-11,13,19,32H,2-9,12H2,1H3.
What are the key properties of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 455.49 g/mol, XLogP of 1.18, 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-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 122452777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).