[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

C24H17FN6O2S — CID 67453124

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C24H17FN6O2S/c25-18-9-7-16(8-10-18)21-26-23(33-29-21)22-28-27-20-14-30(11-12-31(20)22)24(32)17-5-3-15(4-6-17)19-2-1-13-34-19/h1-10,13H,11-12,14H2
InChIKeyRUVLQKWYQZJZOP-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.52
Rot. Bonds4

About [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 67453124) has the molecular formula C24H17FN6O2S and a molecular weight of 472.51 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID67453124
Molecular FormulaC24H17FN6O2S
Molecular Weight472.51 g/mol
Exact Mass472.11
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C24H17FN6O2S/c25-18-9-7-16(8-10-18)21-26-23(33-29-21)22-28-27-20-14-30(11-12-31(20)22)24(32)17-5-3-15(4-6-17)19-2-1-13-34-19/h1-10,13H,11-12,14H2
InChIKeyRUVLQKWYQZJZOP-UHFFFAOYSA-N
XLogP4.52
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone with MolForge

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Related Compounds

[(8R)-8-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549767
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549769
4-[[4-fluoro-3-(5-methyl-3-thiophen-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4H-phthalazin-1-one
CID 155295495
(4-fluorophenyl)(3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482660
(4-fluorophenyl)(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482661
(3-(2-(3-fluorophenyl)thiazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 53482777
(4''-fluoro-[1,1''-biphenyl]-4-yl)(3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482836
(S)-(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 67451973
(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 67451975
(R)-(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 67452602
(3-(2-(2-fluorophenyl)thiazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 67452959
(3-(2-(4-fluorophenyl)thiazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
CID 67453586

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (CID 67453124) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is RUVLQKWYQZJZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O2S/c25-18-9-7-16(8-10-18)21-26-23(33-29-21)22-28-27-20-14-30(11-12-31(20)22)24(32)17-5-3-15(4-6-17)19-2-1-13-34-19/h1-10,13H,11-12,14H2.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 472.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 67453124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).