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

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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).