8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C21H25F3N4O4 — CID 171693612

IUPAC8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CN2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C19H24N4O2.C2HF3O2/c1-2-6-21-17(3-1)13-23-14-19(15-23)11-16(5-10-25-19)4-9-24-18-12-20-7-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,12,16H,4-5,9-11,13-15H2;(H,6,7)
InChIKeyVOZBVSVYEOLENF-UHFFFAOYSA-N
MW454.45 g/mol
LogP2.95
Rot. Bonds6

About 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 171693612) has the molecular formula C21H25F3N4O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID171693612
Molecular FormulaC21H25F3N4O4
Molecular Weight454.45 g/mol
Exact Mass454.18
IUPAC Name8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CN2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C19H24N4O2.C2HF3O2/c1-2-6-21-17(3-1)13-23-14-19(15-23)11-16(5-10-25-19)4-9-24-18-12-20-7-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,12,16H,4-5,9-11,13-15H2;(H,6,7)
InChIKeyVOZBVSVYEOLENF-UHFFFAOYSA-N
XLogP2.95
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155846612
8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155848070
N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398
8-[2-(pyridin-2-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155840559
8-pyrazin-2-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830651
8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171696059
8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155845908
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155859698
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124803188
9-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849125
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 171693612) is 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CN2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1.
What is the InChIKey of 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is VOZBVSVYEOLENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.C2HF3O2/c1-2-6-21-17(3-1)13-23-14-19(15-23)11-16(5-10-25-19)4-9-24-18-12-20-7-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,12,16H,4-5,9-11,13-15H2;(H,6,7).
What are the key properties of 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 454.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).