[3-[3-(2,4-difluorophenyl)-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

C24H16F2N6O2S — CID 67453770

IUPAC[3-[3-(2,4-difluorophenyl)-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)cc3F)no2)C1
InChIInChI=1S/C24H16F2N6O2S/c25-16-7-8-17(18(26)12-16)21-27-23(34-30-21)22-29-28-20-13-31(9-10-32(20)22)24(33)15-5-3-14(4-6-15)19-2-1-11-35-19/h1-8,11-12H,9-10,13H2
InChIKeyPGQVXMDHVDAXJW-UHFFFAOYSA-N
MW490.50 g/mol
LogP4.66
Rot. Bonds4

About [3-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 67453770) has the molecular formula C24H16F2N6O2S and a molecular weight of 490.50 g/mol. Its IUPAC name is [3-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 CID67453770
Molecular FormulaC24H16F2N6O2S
Molecular Weight490.50 g/mol
Exact Mass490.10
IUPAC Name[3-[3-(2,4-difluorophenyl)-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)cc3F)no2)C1
InChIInChI=1S/C24H16F2N6O2S/c25-16-7-8-17(18(26)12-16)21-27-23(34-30-21)22-29-28-20-13-31(9-10-32(20)22)24(33)15-5-3-14(4-6-15)19-2-1-11-35-19/h1-8,11-12H,9-10,13H2
InChIKeyPGQVXMDHVDAXJW-UHFFFAOYSA-N
XLogP4.66
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[3-(2,4-difluorophenyl)-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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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 67453770) is [3-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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)cc3F)no2)C1.
What is the InChIKey of [3-[3-(2,4-difluorophenyl)-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 PGQVXMDHVDAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O2S/c25-16-7-8-17(18(26)12-16)21-27-23(34-30-21)22-29-28-20-13-31(9-10-32(20)22)24(33)15-5-3-14(4-6-15)19-2-1-11-35-19/h1-8,11-12H,9-10,13H2.
What are the key properties of [3-[3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 490.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,4-difluorophenyl)-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 67453770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).