8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

C20H20F3N3O3 — CID 52911867

IUPAC8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCC(Oc1cnccn1)CC2
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-16-3-1-14(2-4-16)26-12-9-19(18(26)27)7-5-15(6-8-19)28-17-13-24-10-11-25-17/h1-4,10-11,13,15H,5-9,12H2
InChIKeyJAOJVANPFJKFFW-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.12
Rot. Bonds4

About 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 52911867) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID52911867
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCC(Oc1cnccn1)CC2
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-16-3-1-14(2-4-16)26-12-9-19(18(26)27)7-5-15(6-8-19)28-17-13-24-10-11-25-17/h1-4,10-11,13,15H,5-9,12H2
InChIKeyJAOJVANPFJKFFW-UHFFFAOYSA-N
XLogP4.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (CID 52911867) is 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCC(Oc1cnccn1)CC2.
What is the InChIKey of 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is JAOJVANPFJKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)29-16-3-1-14(2-4-16)26-12-9-19(18(26)27)7-5-15(6-8-19)28-17-13-24-10-11-25-17/h1-4,10-11,13,15H,5-9,12H2.
What are the key properties of 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 407.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazin-2-yloxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 52911867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).