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

C18H20N4O3 — CID 97419587

IUPACpyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C18H20N4O3/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/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2/t14-,18+/m1/s1
InChIKeyMJDJQNFULMPFOV-KDOFPFPSSA-N
MW340.38 g/mol
LogP1.71
Rot. Bonds3

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

pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97419587) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 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.

Molecular Properties

Compound Namepyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97419587
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namepyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C18H20N4O3/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/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2/t14-,18+/m1/s1
InChIKeyMJDJQNFULMPFOV-KDOFPFPSSA-N
XLogP1.71
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97419587) is pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
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?
The canonical SMILES for pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is 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?
The InChIKey is MJDJQNFULMPFOV-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H20N4O3/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/h1-2,4,6-8,11,14H,3,5,9-10,12-13H2/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?
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 97419587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).