ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C26H34N4O4 — CID 145069684

IUPACethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC.Cc1c(CCN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N4O4.C2H6/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-11-27-12-8-24(9-13-27)10-14-28(23(24)31)20-5-6-21(29)26(2)25-20;1-2/h3-6H,7-15H2,1-2H3;1-2H3
InChIKeyHJCABDOGOXZKBE-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.85
Rot. Bonds4

About ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 145069684) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Nameethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID145069684
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Nameethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC.Cc1c(CCN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N4O4.C2H6/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-11-27-12-8-24(9-13-27)10-14-28(23(24)31)20-5-6-21(29)26(2)25-20;1-2/h3-6H,7-15H2,1-2H3;1-2H3
InChIKeyHJCABDOGOXZKBE-UHFFFAOYSA-N
XLogP2.85
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

9-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(1-methyl-6-oxopyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 145074163
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 145069650
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 145069621
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 72725268
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 144557630
8-[2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 123737658
8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 130465575
8-[(1S)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 130469903
2-(2,1-benzothiazol-3-yl)-8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 145064614
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 145064612
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-(5-oxo-2H-furan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139303136
4-methyl-5-[2-[2-(5-methylsulfonyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]-3H-2-benzofuran-1-one
CID 130388379

Frequently Asked Questions

What is the IUPAC name of ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 145069684) is ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC.Cc1c(CCN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O.
What is the InChIKey of ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HJCABDOGOXZKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4.C2H6/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-11-27-12-8-24(9-13-27)10-14-28(23(24)31)20-5-6-21(29)26(2)25-20;1-2/h3-6H,7-15H2,1-2H3;1-2H3.
What are the key properties of ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 466.58 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 145069684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).