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

C22H27N7O3 — CID 122452758

IUPAC8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CC(=O)CC1)C2=O
InChIInChI=1S/C22H27N7O3/c1-15-18(4-5-20(24-15)29-14-23-25-26-29)19(31)13-27-9-6-22(7-10-27)8-11-28(21(22)32)16-2-3-17(30)12-16/h4-5,12,14,19,31H,2-3,6-11,13H2,1H3
InChIKeyGJHAKSCQNCNGNY-UHFFFAOYSA-N
MW437.50 g/mol
LogP0.96
Rot. Bonds5

About 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 122452758) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID122452758
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CC(=O)CC1)C2=O
InChIInChI=1S/C22H27N7O3/c1-15-18(4-5-20(24-15)29-14-23-25-26-29)19(31)13-27-9-6-22(7-10-27)8-11-28(21(22)32)16-2-3-17(30)12-16/h4-5,12,14,19,31H,2-3,6-11,13H2,1H3
InChIKeyGJHAKSCQNCNGNY-UHFFFAOYSA-N
XLogP0.96
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.96
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-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 122452758) is 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(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-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=CC(=O)CC1)C2=O.
What is the InChIKey of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GJHAKSCQNCNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-15-18(4-5-20(24-15)29-14-23-25-26-29)19(31)13-27-9-6-22(7-10-27)8-11-28(21(22)32)16-2-3-17(30)12-16/h4-5,12,14,19,31H,2-3,6-11,13H2,1H3.
What are the key properties of 8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 437.50 g/mol, XLogP of 0.96, 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-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 122452758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).