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

C24H22FN7O4 — CID 176809193

IUPAC3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCOC2)C3=O)cn1
InChIInChI=1S/C24H22FN7O4/c1-14-18(21(30-36-14)15-2-4-16(25)5-3-15)13-35-20-11-26-19(10-27-20)22-28-29-23-24(33)31(7-8-32(22)23)17-6-9-34-12-17/h2-5,10-11,17H,6-9,12-13H2,1H3
InChIKeyBKUJQTQBTOIZHR-UHFFFAOYSA-N
MW491.48 g/mol
LogP2.66
Rot. Bonds6

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

3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 176809193) has the molecular formula C24H22FN7O4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID176809193
Molecular FormulaC24H22FN7O4
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCOC2)C3=O)cn1
InChIInChI=1S/C24H22FN7O4/c1-14-18(21(30-36-14)15-2-4-16(25)5-3-15)13-35-20-11-26-19(10-27-20)22-28-29-23-24(33)31(7-8-32(22)23)17-6-9-34-12-17/h2-5,10-11,17H,6-9,12-13H2,1H3
InChIKeyBKUJQTQBTOIZHR-UHFFFAOYSA-N
XLogP2.66
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 176809193) is 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCN(C2CCOC2)C3=O)cn1.
What is the InChIKey of 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is BKUJQTQBTOIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O4/c1-14-18(21(30-36-14)15-2-4-16(25)5-3-15)13-35-20-11-26-19(10-27-20)22-28-29-23-24(33)31(7-8-32(22)23)17-6-9-34-12-17/h2-5,10-11,17H,6-9,12-13H2,1H3.
What are the key properties of 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 491.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-7-(oxolan-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 176809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).