(8E)-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 59527968

IUPAC(8E)-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
SMILESCOc1cc(/C=C2\CCCN3C2=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/b19-13+
InChIKeyACEUTYLGYRNLFW-CPNJWEJPSA-N
MW444.51 g/mol
LogP4.66
Rot. Bonds4

About (8E)-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

(8E)-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 59527968) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is (8E)-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 Name(8E)-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 CID59527968
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name(8E)-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
SMILESCOc1cc(/C=C2\CCCN3C2=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/b19-13+
InChIKeyACEUTYLGYRNLFW-CPNJWEJPSA-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 (8E)-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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Frequently Asked Questions

What is the IUPAC name of (8E)-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 (8E)-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 59527968) is (8E)-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 (8E)-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 (8E)-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=C2\CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-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-CPNJWEJPSA-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/b19-13+.
What are the key properties of (8E)-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?
(8E)-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 (8E)-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 59527968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).