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

C19H18F3N3O2 — CID 155386759

IUPAC6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1CCC2(CC2)OC1=O
InChIInChI=1S/C19H18F3N3O2/c1-11-16(10-25-7-6-19(4-5-19)27-18(25)26)24-15(9-23-11)12-2-3-14(20)13(8-12)17(21)22/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyJOBJGHNBRAIWDC-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.40
Rot. Bonds4

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

6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (PubChem CID 155386759) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
PubChem CID155386759
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1CCC2(CC2)OC1=O
InChIInChI=1S/C19H18F3N3O2/c1-11-16(10-25-7-6-19(4-5-19)27-18(25)26)24-15(9-23-11)12-2-3-14(20)13(8-12)17(21)22/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyJOBJGHNBRAIWDC-UHFFFAOYSA-N
XLogP4.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The IUPAC name of 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one (CID 155386759) is 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The canonical SMILES for 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is Cc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1CCC2(CC2)OC1=O.
What is the InChIKey of 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
The InChIKey is JOBJGHNBRAIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-11-16(10-25-7-6-19(4-5-19)27-18(25)26)24-15(9-23-11)12-2-3-14(20)13(8-12)17(21)22/h2-3,8-9,17H,4-7,10H2,1H3.
What are the key properties of 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one?
6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one has a molecular weight of 377.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 155386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).