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

C21H24N8O3 — CID 134181444

IUPAC1-(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
SMILESCC1=C(N2CCN(C3C4CN(CCc5ccc(-n6cnnn6)nc5)CC43)C2=O)COC1=O
InChIInChI=1S/C21H24N8O3/c1-13-17(11-32-20(13)30)27-6-7-28(21(27)31)19-15-9-26(10-16(15)19)5-4-14-2-3-18(22-8-14)29-12-23-24-25-29/h2-3,8,12,15-16,19H,4-7,9-11H2,1H3
InChIKeyDKPLDEXOIMLMMW-UHFFFAOYSA-N
MW436.48 g/mol
LogP0.10
Rot. Bonds6

About 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

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 (PubChem CID 134181444) has the molecular formula C21H24N8O3 and a molecular weight of 436.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID134181444
Molecular FormulaC21H24N8O3
Molecular Weight436.48 g/mol
Exact Mass436.20
IUPAC Name1-(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
SMILESCC1=C(N2CCN(C3C4CN(CCc5ccc(-n6cnnn6)nc5)CC43)C2=O)COC1=O
InChIInChI=1S/C21H24N8O3/c1-13-17(11-32-20(13)30)27-6-7-28(21(27)31)19-15-9-26(10-16(15)19)5-4-14-2-3-18(22-8-14)29-12-23-24-25-29/h2-3,8,12,15-16,19H,4-7,9-11H2,1H3
InChIKeyDKPLDEXOIMLMMW-UHFFFAOYSA-N
XLogP0.10
TPSA109.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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-(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-[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
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
1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
CID 155796119
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
(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
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
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
3-[2'-hydroxy-9-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-1'-yl]-4-methyl-2H-furan-5-one
CID 135190103
8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen;[6-(tetrazol-1-yl)pyridazin-3-yl]methanamine
CID 144885549
2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
CID 67516823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(N2CCN(C3C4CN(CCc5ccc(-n6cnnn6)nc5)CC43)C2=O)COC1=O.
What is the InChIKey of 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?
The InChIKey is DKPLDEXOIMLMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3/c1-13-17(11-32-20(13)30)27-6-7-28(21(27)31)19-15-9-26(10-16(15)19)5-4-14-2-3-18(22-8-14)29-12-23-24-25-29/h2-3,8,12,15-16,19H,4-7,9-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 436.48 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134181444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).