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

C25H25FN4O3 — CID 76798049

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

[3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 76798049) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)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-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• PubChem CID: 76798049
• Molecular Formula: C25H25FN4O3
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.19
• IUPAC Name: [3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• SMILES: COc1cc(C=C2CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-c1cnn(C)c1
• InChI: InChI=1S/C25H25FN4O3/c1-29-15-19(14-27-29)22-10-5-17(13-23(22)32-2)12-18-4-3-11-30-24(18)28-33-25(30,16-31)20-6-8-21(26)9-7-20/h5-10,12-15,31H,3-4,11,16H2,1-2H3
• InChIKey: BSVAXVPJWNNBPS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)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-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 76798049) is [3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)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-[[3-methoxy-4-(1-methylpyrazol-4-yl)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-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(C=C2CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-c1cnn(C)c1.

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

The InChIKey is BSVAXVPJWNNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-29-15-19(14-27-29)22-10-5-17(13-23(22)32-2)12-18-4-3-11-30-24(18)28-33-25(30,16-31)20-6-8-21(26)9-7-20/h5-10,12-15,31H,3-4,11,16H2,1-2H3.

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

[3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 448.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 76798049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).