7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C24H22FN7O3 — CID 169206930

IUPAC7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCC2)C3=O)cn1
InChIInChI=1S/C24H22FN7O3/c1-14-18(21(30-35-14)15-5-7-16(25)8-6-15)13-34-20-12-26-19(11-27-20)22-28-29-23-24(33)31(9-10-32(22)23)17-3-2-4-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3
InChIKeyXYYLPGBDJXIKAS-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.42
Rot. Bonds6

About 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 169206930) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID169206930
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCC2)C3=O)cn1
InChIInChI=1S/C24H22FN7O3/c1-14-18(21(30-35-14)15-5-7-16(25)8-6-15)13-34-20-12-26-19(11-27-20)22-28-29-23-24(33)31(9-10-32(22)23)17-3-2-4-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3
InChIKeyXYYLPGBDJXIKAS-UHFFFAOYSA-N
XLogP3.42
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 169206930) is 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCC2)C3=O)cn1.
What is the InChIKey of 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is XYYLPGBDJXIKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-14-18(21(30-35-14)15-5-7-16(25)8-6-15)13-34-20-12-26-19(11-27-20)22-28-29-23-24(33)31(9-10-32(22)23)17-3-2-4-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3.
What are the key properties of 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 475.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 169206930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).