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

C21H26N8O3 — CID 134181479

IUPAC4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC1CN(C2CCN(CCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C21H26N8O3/c1-15-12-27(21(31)29(15)18-10-20(30)32-13-18)17-5-8-26(9-6-17)7-4-16-2-3-19(22-11-16)28-14-23-24-25-28/h2-3,10-11,14-15,17H,4-9,12-13H2,1H3
InChIKeyDOKDTTIJGVKSMO-UHFFFAOYSA-N
MW438.49 g/mol
LogP0.63
Rot. Bonds6

About 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

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 (PubChem CID 134181479) has the molecular formula C21H26N8O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID134181479
Molecular FormulaC21H26N8O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC Name4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC1CN(C2CCN(CCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1
InChIInChI=1S/C21H26N8O3/c1-15-12-27(21(31)29(15)18-10-20(30)32-13-18)17-5-8-26(9-6-17)7-4-16-2-3-19(22-11-16)28-14-23-24-25-28/h2-3,10-11,14-15,17H,4-9,12-13H2,1H3
InChIKeyDOKDTTIJGVKSMO-UHFFFAOYSA-N
XLogP0.63
TPSA109.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233005
(1R,4R,8S)-4-methyl-3-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-3-azatricyclo[4.4.0.01,5]decan-2-one
CID 144885521
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
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-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 123910315
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
3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 144715471
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
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
3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 67515900
(3S)-8-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184208

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C2CCN(CCc3ccc(-n4cnnn4)nc3)CC2)C(=O)N1C1=CC(=O)OC1.
What is the InChIKey of 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?
The InChIKey is DOKDTTIJGVKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O3/c1-15-12-27(21(31)29(15)18-10-20(30)32-13-18)17-5-8-26(9-6-17)7-4-16-2-3-19(22-11-16)28-14-23-24-25-28/h2-3,10-11,14-15,17H,4-9,12-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 438.49 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134181479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).