[3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C24H22F6N4O2S — CID 75147571

About [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

[3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 75147571) has the molecular formula C24H22F6N4O2S and a molecular weight of 544.52 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• PubChem CID: 75147571
• Molecular Formula: C24H22F6N4O2S
• Molecular Weight: 544.52 g/mol
• Exact Mass: 544.14
• IUPAC Name: [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• SMILES: Cc1cn(-c2ccc(C=C3CCCN4C3=NOC4(CO)c3ccc(F)cc3)cc2S(F)(F)(F)(F)F)cn1
• InChI: InChI=1S/C24H22F6N4O2S/c1-16-13-33(15-31-16)21-9-4-17(12-22(21)37(26,27,28,29)30)11-18-3-2-10-34-23(18)32-36-24(34,14-35)19-5-7-20(25)8-6-19/h4-9,11-13,15,35H,2-3,10,14H2,1H3
• InChIKey: ZPVXGNNZAZXREL-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 62.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.52
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The IUPAC name of [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 75147571) is [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

What is the SMILES notation for [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The canonical SMILES for [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is Cc1cn(-c2ccc(C=C3CCCN4C3=NOC4(CO)c3ccc(F)cc3)cc2S(F)(F)(F)(F)F)cn1.

What is the InChIKey of [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The InChIKey is ZPVXGNNZAZXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N4O2S/c1-16-13-33(15-31-16)21-9-4-17(12-22(21)37(26,27,28,29)30)11-18-3-2-10-34-23(18)32-36-24(34,14-35)19-5-7-20(25)8-6-19/h4-9,11-13,15,35H,2-3,10,14H2,1H3.

What are the key properties of [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

[3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 544.52 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 75147571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).