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

C29H34FN5O2 — CID 91047189

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

[8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 91047189) has the molecular formula C29H34FN5O2 and a molecular weight of 503.62 g/mol. Its IUPAC name is [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• PubChem CID: 91047189
• Molecular Formula: C29H34FN5O2
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.27
• IUPAC Name: [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• SMILES: CCN(CC)c1cc(-n2cnc(C)c2)c(C)cc1C=C1CCCN2C1=NOC2(CO)c1ccc(F)cc1
• InChI: InChI=1S/C29H34FN5O2/c1-5-33(6-2)27-16-26(34-17-21(4)31-19-34)20(3)14-23(27)15-22-8-7-13-35-28(22)32-37-29(35,18-36)24-9-11-25(30)12-10-24/h9-12,14-17,19,36H,5-8,13,18H2,1-4H3
• InChIKey: VTRFUEVHNRSYGJ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 66.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 91047189) is [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

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

The canonical SMILES for [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is CCN(CC)c1cc(-n2cnc(C)c2)c(C)cc1C=C1CCCN2C1=NOC2(CO)c1ccc(F)cc1.

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

The InChIKey is VTRFUEVHNRSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O2/c1-5-33(6-2)27-16-26(34-17-21(4)31-19-34)20(3)14-23(27)15-22-8-7-13-35-28(22)32-37-29(35,18-36)24-9-11-25(30)12-10-24/h9-12,14-17,19,36H,5-8,13,18H2,1-4H3.

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

[8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 503.62 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[[2-(diethylamino)-5-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 91047189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).