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

C26H25FN4O2 — CID 74395050

IUPAC3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
SMILESCOc1cc(C=C2CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20/h6-11,13-16H,4-5,12H2,1-3H3
InChIKeyACEUTYLGYRNLFW-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.66
Rot. Bonds4

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

3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one (PubChem CID 74395050) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
PubChem CID74395050
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
SMILESCOc1cc(C=C2CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20/h6-11,13-16H,4-5,12H2,1-3H3
InChIKeyACEUTYLGYRNLFW-UHFFFAOYSA-N
XLogP4.66
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one with MolForge

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Related Compounds

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(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one
CID 16738853
(3Z,6R,9aS)-6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
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(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
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2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
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(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
(8'E)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 25143875
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25144288
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
[(8E)-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]methanol
CID 25145846
(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one
CID 25186150

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one (CID 74395050) is 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one is COc1cc(C=C2CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The InChIKey is ACEUTYLGYRNLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20/h6-11,13-16H,4-5,12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one has a molecular weight of 444.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 74395050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).