6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one

C18H16F3N3O3 — CID 155386807

IUPAC6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESO=C1OC2(CCN1Cc1cncc(-c3ccc(F)c(OC(F)F)c3)n1)CC2
InChIInChI=1S/C18H16F3N3O3/c19-13-2-1-11(7-15(13)26-16(20)21)14-9-22-8-12(23-14)10-24-6-5-18(3-4-18)27-17(24)25/h1-2,7-9,16H,3-6,10H2
InChIKeyIWFHGBXQEIILKO-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.76
Rot. Bonds5

About 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one

6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (PubChem CID 155386807) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
PubChem CID155386807
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESO=C1OC2(CCN1Cc1cncc(-c3ccc(F)c(OC(F)F)c3)n1)CC2
InChIInChI=1S/C18H16F3N3O3/c19-13-2-1-11(7-15(13)26-16(20)21)14-9-22-8-12(23-14)10-24-6-5-18(3-4-18)27-17(24)25/h1-2,7-9,16H,3-6,10H2
InChIKeyIWFHGBXQEIILKO-UHFFFAOYSA-N
XLogP3.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The IUPAC name of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (CID 155386807) is 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The canonical SMILES for 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is O=C1OC2(CCN1Cc1cncc(-c3ccc(F)c(OC(F)F)c3)n1)CC2.
What is the InChIKey of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The InChIKey is IWFHGBXQEIILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-13-2-1-11(7-15(13)26-16(20)21)14-9-22-8-12(23-14)10-24-6-5-18(3-4-18)27-17(24)25/h1-2,7-9,16H,3-6,10H2.
What are the key properties of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one has a molecular weight of 379.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 155386807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).