6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

C17H14F3N3O3 — CID 155386752

IUPAC6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESO=C1OC2(CC2)CN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C17H14F3N3O3/c18-12-2-1-10(5-14(12)25-15(19)20)13-7-21-6-11(22-13)8-23-9-17(3-4-17)26-16(23)24/h1-2,5-7,15H,3-4,8-9H2
InChIKeyYLFLPFCZGJXJDF-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.37
Rot. Bonds5

About 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (PubChem CID 155386752) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
PubChem CID155386752
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESO=C1OC2(CC2)CN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C17H14F3N3O3/c18-12-2-1-10(5-14(12)25-15(19)20)13-7-21-6-11(22-13)8-23-9-17(3-4-17)26-16(23)24/h1-2,5-7,15H,3-4,8-9H2
InChIKeyYLFLPFCZGJXJDF-UHFFFAOYSA-N
XLogP3.37
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44591794
CID 44591794
CID 54585736
CID 54585736
CID 134805617
CID 134805617
CID 16740522
CID 16740522
CID 54586717
CID 54586717
CID 134807272
CID 134807272
CID 155386753
CID 155386753
CID 155386755
CID 155386755
CID 155386756
CID 155386756
CID 155386758
CID 155386758
CID 155386769
CID 155386769
CID 155386775
CID 155386775

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The IUPAC name of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (CID 155386752) is 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one is O=C1OC2(CC2)CN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1.
What is the InChIKey of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The InChIKey is YLFLPFCZGJXJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-12-2-1-10(5-14(12)25-15(19)20)13-7-21-6-11(22-13)8-23-9-17(3-4-17)26-16(23)24/h1-2,5-7,15H,3-4,8-9H2.
What are the key properties of 6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
6-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one has a molecular weight of 365.31 g/mol, XLogP of 3.37, 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[2.4]heptan-5-one is sourced from PubChem (CID 155386752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).