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

C23H29N7O3 — CID 122452748

IUPAC8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O
InChIInChI=1S/C23H29N7O3/c1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30/h3,6,14,20,32H,4-5,7-13H2,1-2H3
InChIKeyGBPOZENOZQPMQS-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.35
Rot. Bonds5

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

8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 122452748) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID122452748
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O
InChIInChI=1S/C23H29N7O3/c1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30/h3,6,14,20,32H,4-5,7-13H2,1-2H3
InChIKeyGBPOZENOZQPMQS-UHFFFAOYSA-N
XLogP1.35
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 122452748) is 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)CCC1=O.
What is the InChIKey of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GBPOZENOZQPMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-15-18(4-5-19(15)31)29-12-9-23(22(29)33)7-10-28(11-8-23)13-20(32)17-3-6-21(25-16(17)2)30-14-24-26-27-30/h3,6,14,20,32H,4-5,7-13H2,1-2H3.
What are the key properties of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 451.53 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 122452748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).