3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one

C22H29N7O3 — CID 122668709

IUPAC3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4cncc(-n5cnnn5)c4)CC3)CC2)COC1=O
InChIInChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-8-4-22(5-9-28)2-6-27(7-3-22)13-20(30)17-10-18(12-23-11-17)29-15-24-25-26-29/h10-12,15,20,30H,2-9,13-14H2,1H3
InChIKeyYXLJAZKUMWALJE-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.10
Rot. Bonds5

About 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one

3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one (PubChem CID 122668709) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
PubChem CID122668709
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
SMILESCC1=C(N2CCC3(CCN(CC(O)c4cncc(-n5cnnn5)c4)CC3)CC2)COC1=O
InChIInChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-8-4-22(5-9-28)2-6-27(7-3-22)13-20(30)17-10-18(12-23-11-17)29-15-24-25-26-29/h10-12,15,20,30H,2-9,13-14H2,1H3
InChIKeyYXLJAZKUMWALJE-UHFFFAOYSA-N
XLogP1.10
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
CID 118197048
3-[55-[2-hydroxy-2-[6-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,55-diazaspiro[5.51]heptapentacontan-3-yl]-4-methyl-2H-furan-5-one
CID 118197335
4-methyl-3-[9-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 144877180
3-[3-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl]-4-methyl-2H-furan-5-one
CID 130466458
3-[9-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 123809951
7-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,7-diazaspiro[3.5]nonan-3-one
CID 121345140
3-[1-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
CID 122454048
3-[9-[(2S)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylcyclopent-2-en-1-one
CID 118196885
8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461601
(1R,5R)-8-[(2R)-2-hydroxy-2-[2-(tetrazol-1-yl)pyrimidin-5-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
CID 118677064
8-[(2R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-8-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 127043967
3-[9-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylcyclobut-3-ene-1,2-dione
CID 118196909

Frequently Asked Questions

What is the IUPAC name of 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The IUPAC name of 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one (CID 122668709) is 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one is CC1=C(N2CCC3(CCN(CC(O)c4cncc(-n5cnnn5)c4)CC3)CC2)COC1=O.
What is the InChIKey of 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The InChIKey is YXLJAZKUMWALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-8-4-22(5-9-28)2-6-27(7-3-22)13-20(30)17-10-18(12-23-11-17)29-15-24-25-26-29/h10-12,15,20,30H,2-9,13-14H2,1H3.
What are the key properties of 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one has a molecular weight of 439.52 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 122668709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).