2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

C22H25N3O4 — CID 131692687

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCO2)N1CC2(CC(Oc3cnccn3)CCO2)C1
InChIInChI=1S/C22H25N3O4/c26-21(11-16-3-4-19-17(10-16)2-1-8-27-19)25-14-22(15-25)12-18(5-9-28-22)29-20-13-23-6-7-24-20/h3-4,6-7,10,13,18H,1-2,5,8-9,11-12,14-15H2
InChIKeyUMDYKCKDFVTSTJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.18
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 131692687) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
PubChem CID131692687
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCO2)N1CC2(CC(Oc3cnccn3)CCO2)C1
InChIInChI=1S/C22H25N3O4/c26-21(11-16-3-4-19-17(10-16)2-1-8-27-19)25-14-22(15-25)12-18(5-9-28-22)29-20-13-23-6-7-24-20/h3-4,6-7,10,13,18H,1-2,5,8-9,11-12,14-15H2
InChIKeyUMDYKCKDFVTSTJ-UHFFFAOYSA-N
XLogP2.18
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone with MolForge

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Related Compounds

1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124830917
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131692520
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131657327
2-(3,4-dihydro-2H-chromen-6-yl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692216
1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 124793677
1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 133139352
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (CID 131692687) is 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is O=C(Cc1ccc2c(c1)CCCO2)N1CC2(CC(Oc3cnccn3)CCO2)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is UMDYKCKDFVTSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(11-16-3-4-19-17(10-16)2-1-8-27-19)25-14-22(15-25)12-18(5-9-28-22)29-20-13-23-6-7-24-20/h3-4,6-7,10,13,18H,1-2,5,8-9,11-12,14-15H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 395.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 131692687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).