[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C19H22N4O2 — CID 125015393

IUPAC[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2
InChIInChI=1S/C19H22N4O2/c24-18(15-1-5-20-6-2-15)23-9-3-19(4-10-23)12-17(25-14-19)11-16-13-21-7-8-22-16/h1-2,5-8,13,17H,3-4,9-12,14H2/t17-/m0/s1
InChIKeyWTGIQGJQUXZDKR-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.13
Rot. Bonds3

About [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 125015393) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID125015393
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2
InChIInChI=1S/C19H22N4O2/c24-18(15-1-5-20-6-2-15)23-9-3-19(4-10-23)12-17(25-14-19)11-16-13-21-7-8-22-16/h1-2,5-8,13,17H,3-4,9-12,14H2/t17-/m0/s1
InChIKeyWTGIQGJQUXZDKR-KRWDZBQOSA-N
XLogP2.13
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124978485
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 131643944
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
pyridin-4-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97385687
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 125015393) is [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2.
What is the InChIKey of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is WTGIQGJQUXZDKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(15-1-5-20-6-2-15)23-9-3-19(4-10-23)12-17(25-14-19)11-16-13-21-7-8-22-16/h1-2,5-8,13,17H,3-4,9-12,14H2/t17-/m0/s1.
What are the key properties of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 125015393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).