6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

C21H28N8O3 — CID 123969083

IUPAC6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOC1CN(CCc2ccc(-n3cnnn3)nn2)CCC12CCN(C1=C(C)COC1)C2=O
InChIInChI=1S/C21H28N8O3/c1-15-12-32-13-17(15)28-10-7-21(20(28)30)6-9-27(11-18(21)31-2)8-5-16-3-4-19(24-23-16)29-14-22-25-26-29/h3-4,14,18H,5-13H2,1-2H3
InChIKeyJKBUXEGIIHYSNP-UHFFFAOYSA-N
MW440.51 g/mol
LogP0.24
Rot. Bonds6

About 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123969083) has the molecular formula C21H28N8O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID123969083
Molecular FormulaC21H28N8O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC Name6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOC1CN(CCc2ccc(-n3cnnn3)nn2)CCC12CCN(C1=C(C)COC1)C2=O
InChIInChI=1S/C21H28N8O3/c1-15-12-32-13-17(15)28-10-7-21(20(28)30)6-9-27(11-18(21)31-2)8-5-16-3-4-19(24-23-16)29-14-22-25-26-29/h3-4,14,18H,5-13H2,1-2H3
InChIKeyJKBUXEGIIHYSNP-UHFFFAOYSA-N
XLogP0.24
TPSA111.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 123969083) is 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is COC1CN(CCc2ccc(-n3cnnn3)nn2)CCC12CCN(C1=C(C)COC1)C2=O.
What is the InChIKey of 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JKBUXEGIIHYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O3/c1-15-12-32-13-17(15)28-10-7-21(20(28)30)6-9-27(11-18(21)31-2)8-5-16-3-4-19(24-23-16)29-14-22-25-26-29/h3-4,14,18H,5-13H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?
6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 440.51 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methyl-2,5-dihydrofuran-3-yl)-8-[2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123969083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).