pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid

C20H21F3N4O5 — CID 155825645

IUPACpyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C18H20N4O3.C2HF3O2/c23-17(15-11-19-7-8-20-15)22-9-3-5-18(13-22)10-14(12-24-18)25-16-4-1-2-6-21-16;3-2(4,5)1(6)7/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2;(H,6,7)/t14-,18+;/m1./s1
InChIKeyGMGSIVOCXLNEAD-CQZNTPMBSA-N
MW454.41 g/mol
LogP2.35
Rot. Bonds3

About pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155825645) has the molecular formula C20H21F3N4O5 and a molecular weight of 454.41 g/mol. Its IUPAC name is pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155825645
Molecular FormulaC20H21F3N4O5
Molecular Weight454.41 g/mol
Exact Mass454.15
IUPAC Namepyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C18H20N4O3.C2HF3O2/c23-17(15-11-19-7-8-20-15)22-9-3-5-18(13-22)10-14(12-24-18)25-16-4-1-2-6-21-16;3-2(4,5)1(6)7/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2;(H,6,7)/t14-,18+;/m1./s1
InChIKeyGMGSIVOCXLNEAD-CQZNTPMBSA-N
XLogP2.35
TPSA114.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 132253149
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97419793
[2-(2-methoxyethoxy)-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](2-pyrazinyl)methanone
CID 91907668
[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](2-pyrazinyl)methanone
CID 91917837
[2-(cyclopropylmethoxy)-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](2-pyrazinyl)methanone
CID 91917929
Pyrazin-2-yl(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798754
1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743040
[9-[(5-Methylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743360
2-Pyridin-2-yl-1-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746938
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 127021986
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 127022181
[(7R,8aS)-7-(4-methylphenoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022238

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid (CID 155825645) is pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1.
What is the InChIKey of pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GMGSIVOCXLNEAD-CQZNTPMBSA-N. The full InChI is InChI=1S/C18H20N4O3.C2HF3O2/c23-17(15-11-19-7-8-20-15)22-9-3-5-18(13-22)10-14(12-24-18)25-16-4-1-2-6-21-16;3-2(4,5)1(6)7/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2;(H,6,7)/t14-,18+;/m1./s1.
What are the key properties of pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 454.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).