6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one

C19H19F2N3O2 — CID 155386773

IUPAC6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESCC(F)(F)c1cccc(-c2cncc(CN3CCC4(CC4)OC3=O)n2)c1
InChIInChI=1S/C19H19F2N3O2/c1-18(20,21)14-4-2-3-13(9-14)16-11-22-10-15(23-16)12-24-8-7-19(5-6-19)26-17(24)25/h2-4,9-11H,5-8,12H2,1H3
InChIKeyAHBCQOSOOAJGBO-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.13
Rot. Bonds4

About 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one

6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (PubChem CID 155386773) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
PubChem CID155386773
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESCC(F)(F)c1cccc(-c2cncc(CN3CCC4(CC4)OC3=O)n2)c1
InChIInChI=1S/C19H19F2N3O2/c1-18(20,21)14-4-2-3-13(9-14)16-11-22-10-15(23-16)12-24-8-7-19(5-6-19)26-17(24)25/h2-4,9-11H,5-8,12H2,1H3
InChIKeyAHBCQOSOOAJGBO-UHFFFAOYSA-N
XLogP4.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The IUPAC name of 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (CID 155386773) is 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The canonical SMILES for 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is CC(F)(F)c1cccc(-c2cncc(CN3CCC4(CC4)OC3=O)n2)c1.
What is the InChIKey of 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The InChIKey is AHBCQOSOOAJGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-18(20,21)14-4-2-3-13(9-14)16-11-22-10-15(23-16)12-24-8-7-19(5-6-19)26-17(24)25/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one has a molecular weight of 359.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 155386773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).