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

C22H27N7O3 — CID 122452752

IUPAC8-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CC(=O)N(C1=CC(=O)CC1)C2
InChIInChI=1S/C22H27N7O3/c1-15-18(4-5-20(24-15)29-14-23-25-26-29)19(31)12-27-8-6-22(7-9-27)11-21(32)28(13-22)16-2-3-17(30)10-16/h4-5,10,14,19,31H,2-3,6-9,11-13H2,1H3
InChIKeySUCDZFIBZPECQQ-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-3-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-3-one (PubChem CID 122452752) 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-3-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-3-one
PubChem CID122452752
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-3-one
SMILESCc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CC(=O)N(C1=CC(=O)CC1)C2
InChIInChI=1S/C22H27N7O3/c1-15-18(4-5-20(24-15)29-14-23-25-26-29)19(31)12-27-8-6-22(7-9-27)11-21(32)28(13-22)16-2-3-17(30)10-16/h4-5,10,14,19,31H,2-3,6-9,11-13H2,1H3
InChIKeySUCDZFIBZPECQQ-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-3-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-3-one (CID 122452752) 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-3-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-3-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-3-one is Cc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CC(=O)N(C1=CC(=O)CC1)C2.
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-3-one?
The InChIKey is SUCDZFIBZPECQQ-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)12-27-8-6-22(7-9-27)11-21(32)28(13-22)16-2-3-17(30)10-16/h4-5,10,14,19,31H,2-3,6-9,11-13H2,1H3.
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-3-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-3-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-3-one is sourced from PubChem (CID 122452752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).