3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H22N8O3 — CID 145069969

IUPAC3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=C(N2N=CC3(CCN(CCc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H22N8O3/c1-14-16(11-31-18(14)29)28-19(30)20(12-23-28)5-8-26(9-6-20)7-4-15-2-3-17(21-10-15)27-13-22-24-25-27/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyYTPDAWVKUCZMCB-UHFFFAOYSA-N
MW422.45 g/mol
LogP0.34
Rot. Bonds5

About 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one

3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 145069969) has the molecular formula C20H22N8O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID145069969
Molecular FormulaC20H22N8O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=C(N2N=CC3(CCN(CCc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H22N8O3/c1-14-16(11-31-18(14)29)28-19(30)20(12-23-28)5-8-26(9-6-20)7-4-15-2-3-17(21-10-15)27-13-22-24-25-27/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyYTPDAWVKUCZMCB-UHFFFAOYSA-N
XLogP0.34
TPSA118.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

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-[2,2-difluoro-9-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-methyl-2H-furan-5-one
CID 139303647
1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[3-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]imidazolidin-2-one
CID 134181444
(3R)-3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one;(3S)-3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 159917360
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123329735
8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461764
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 134181479
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
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-[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
2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
CID 67516823

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 145069969) is 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=C(N2N=CC3(CCN(CCc4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.
What is the InChIKey of 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YTPDAWVKUCZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-14-16(11-31-18(14)29)28-19(30)20(12-23-28)5-8-26(9-6-20)7-4-15-2-3-17(21-10-15)27-13-22-24-25-27/h2-3,10,12-13H,4-9,11H2,1H3.
What are the key properties of 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 422.45 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 145069969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).