[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone

C18H19FN4O3 — CID 124788170

IUPAC[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F
InChIInChI=1S/C18H19FN4O3/c19-14-2-1-5-22-16(14)25-8-3-13-4-9-26-18(13)11-23(12-18)17(24)15-10-20-6-7-21-15/h1-2,5-7,10,13H,3-4,8-9,11-12H2/t13-/m1/s1
InChIKeyAUECEFYBZYURAB-CYBMUJFWSA-N
MW358.37 g/mol
LogP1.71
Rot. Bonds5

About [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone

[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone (PubChem CID 124788170) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone
PubChem CID124788170
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F
InChIInChI=1S/C18H19FN4O3/c19-14-2-1-5-22-16(14)25-8-3-13-4-9-26-18(13)11-23(12-18)17(24)15-10-20-6-7-21-15/h1-2,5-7,10,13H,3-4,8-9,11-12H2/t13-/m1/s1
InChIKeyAUECEFYBZYURAB-CYBMUJFWSA-N
XLogP1.71
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

Pyrazin-2-yl(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798754
2-Methyl-5-{4-[3-phenoxy-2-(pyridin-4-YL)azetidin-1-YL]piperidine-1-carbonyl}pyrazine
CID 124048648
[4-Methyl-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-1-yl]-(3-phenylpyrazin-2-yl)methanone
CID 139504904
[3-[[5,6-Bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone
CID 144671423
2-methylpropan-2-amine;N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 162621553
methyl 5-[(1R,5S)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrazine-2-carboxylate
CID 166104427
2-methylpropan-2-amine;N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171932759
methyl 6-[(1R,5S)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrazine-2-carboxylate
CID 172092804
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazine-2-carboxamide
CID 71969630
pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 75536859
N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 86986221
Pyrazin-2-yl(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 91625448

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone (CID 124788170) is [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F.
What is the InChIKey of [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is AUECEFYBZYURAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-14-2-1-5-22-16(14)25-8-3-13-4-9-26-18(13)11-23(12-18)17(24)15-10-20-6-7-21-15/h1-2,5-7,10,13H,3-4,8-9,11-12H2/t13-/m1/s1.
What are the key properties of [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone?
[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 358.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124788170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).