[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C26H27FN4O3 — CID 58476508

IUPAC[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-c1cnc(C)n1C
InChIInChI=1S/C26H27FN4O3/c1-17-28-15-23(30(17)2)22-11-6-18(14-24(22)33-3)13-19-5-4-12-31-25(19)29-34-26(31,16-32)20-7-9-21(27)10-8-20/h6-11,13-15,32H,4-5,12,16H2,1-3H3/b19-13+
InChIKeyRMZWYZROGRMLEC-CPNJWEJPSA-N
MW462.53 g/mol
LogP4.21
Rot. Bonds5

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

[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 58476508) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID58476508
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-c1cnc(C)n1C
InChIInChI=1S/C26H27FN4O3/c1-17-28-15-23(30(17)2)22-11-6-18(14-24(22)33-3)13-19-5-4-12-31-25(19)29-34-26(31,16-32)20-7-9-21(27)10-8-20/h6-11,13-15,32H,4-5,12,16H2,1-3H3/b19-13+
InChIKeyRMZWYZROGRMLEC-CPNJWEJPSA-N
XLogP4.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol with MolForge

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Related Compounds

[(8E)-3-(4-fluorophenyl)-8-[(3-methoxy-4-pyridazin-4-ylphenyl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 58476524
[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 76798096
[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
[(8E)-8-[[4-(3-aminoazetidin-1-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;ethane
CID 143988129
1-[(3S)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 123983738
[8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-[4-(pentafluoro-λ6-sulfanyl)oxyphenyl]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 75147485
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 46199883
[8-[[3-fluoro-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 75171854
[(8E)-3-(2,5-difluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 46200043
[(8E)-3-(3-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946529
4-[4-[(E)-[3-ethyl-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-methoxyphenyl]pyridine-2-carbonitrile
CID 70227604
[(8E)-8-[(6-chloro-3-pyridinyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 46199572

Frequently Asked Questions

What is the IUPAC name of [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 58476508) is [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]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 [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-c1cnc(C)n1C.
What is the InChIKey of [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is RMZWYZROGRMLEC-CPNJWEJPSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-28-15-23(30(17)2)22-11-6-18(14-24(22)33-3)13-19-5-4-12-31-25(19)29-34-26(31,16-32)20-7-9-21(27)10-8-20/h6-11,13-15,32H,4-5,12,16H2,1-3H3/b19-13+.
What are the key properties of [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 462.53 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 58476508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).