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

C24H28N4O5 — CID 145074163

IUPAC9-[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
SMILESCc1c(CCN2CCC3(CC2)OCCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N4O5/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-10-27-11-8-24(9-12-27)23(31)28(13-14-33-24)20-5-6-21(29)26(2)25-20/h3-6H,7-15H2,1-2H3
InChIKeyHNAZQBSJJUUTKV-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.20
Rot. Bonds4

About 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

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 (PubChem CID 145074163) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID145074163
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name9-[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
SMILESCc1c(CCN2CCC3(CC2)OCCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N4O5/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-10-27-11-8-24(9-12-27)23(31)28(13-14-33-24)20-5-6-21(29)26(2)25-20/h3-6H,7-15H2,1-2H3
InChIKeyHNAZQBSJJUUTKV-UHFFFAOYSA-N
XLogP1.20
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
6-[9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-methylpyridazin-3-one
CID 130449750
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-3-one
CID 144557635
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
4-methyl-5-[2-[2-(5-methylsulfonyl-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-3H-2-benzofuran-1-one
CID 144785639
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(CCN2CCC3(CC2)OCCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O.
What is the InChIKey of 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?
The InChIKey is HNAZQBSJJUUTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-16-17(3-4-18-19(16)15-32-22(18)30)7-10-27-11-8-24(9-12-27)23(31)28(13-14-33-24)20-5-6-21(29)26(2)25-20/h3-6H,7-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 452.51 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145074163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).