3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole

C23H19F3N8OS — CID 58334195

IUPAC3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(-c4ccccc4)no3)nc2s1
InChIInChI=1S/C23H19F3N8OS/c1-2-6-14-11-15-19(33-9-10-34-16(12-33)30-31-22(34)23(24,25)26)27-18(29-21(15)36-14)20-28-17(32-35-20)13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyGIPNEBBGMIXRET-UHFFFAOYSA-N
MW512.52 g/mol
LogP4.99
Rot. Bonds5

About 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole

3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole (PubChem CID 58334195) has the molecular formula C23H19F3N8OS and a molecular weight of 512.52 g/mol. Its IUPAC name is 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole
PubChem CID58334195
Molecular FormulaC23H19F3N8OS
Molecular Weight512.52 g/mol
Exact Mass512.14
IUPAC Name3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(-c4ccccc4)no3)nc2s1
InChIInChI=1S/C23H19F3N8OS/c1-2-6-14-11-15-19(33-9-10-34-16(12-33)30-31-22(34)23(24,25)26)27-18(29-21(15)36-14)20-28-17(32-35-20)13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyGIPNEBBGMIXRET-UHFFFAOYSA-N
XLogP4.99
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole (CID 58334195) is 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(-c4ccccc4)no3)nc2s1.
What is the InChIKey of 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is GIPNEBBGMIXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8OS/c1-2-6-14-11-15-19(33-9-10-34-16(12-33)30-31-22(34)23(24,25)26)27-18(29-21(15)36-14)20-28-17(32-35-20)13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3.
What are the key properties of 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole?
3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 512.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 58334195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).