3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one

C26H24FN3O2 — CID 59591030

IUPAC3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
SMILESCOc1cc(Cc2ccc3n(c2=O)C(c2ccc(F)cc2)CC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H24FN3O2/c1-17-15-29(16-28-17)24-11-3-18(14-25(24)32-2)13-20-6-9-22-10-12-23(30(22)26(20)31)19-4-7-21(27)8-5-19/h3-9,11,14-16,23H,10,12-13H2,1-2H3
InChIKeyYOFSLMVXWZTUPL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one

3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one (PubChem CID 59591030) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
PubChem CID59591030
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
SMILESCOc1cc(Cc2ccc3n(c2=O)C(c2ccc(F)cc2)CC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H24FN3O2/c1-17-15-29(16-28-17)24-11-3-18(14-25(24)32-2)13-20-6-9-22-10-12-23(30(22)26(20)31)19-4-7-21(27)8-5-19/h3-9,11,14-16,23H,10,12-13H2,1-2H3
InChIKeyYOFSLMVXWZTUPL-UHFFFAOYSA-N
XLogP4.62
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R)-6-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 158370172
5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
CID 58375688
ethane;(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 143760379
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
(2Z,5S)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one
CID 70265777
(4R,7E,9aS)-4-(4-fluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3,4,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-6-one
CID 24781613
(5R)-5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299690
(5S)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,5,6,7-tetrahydroindolizin-3-one
CID 67461409
(1R,3Z,6S,8aR)-6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one;(1S,3Z,6S,8aR)-6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 159867183
(2Z,5S)-8-ethyl-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine
CID 25185044
1-[(4-fluorophenyl)methyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6-dimethylpiperidin-2-one
CID 66961251

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one (CID 59591030) is 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one is COc1cc(Cc2ccc3n(c2=O)C(c2ccc(F)cc2)CC3)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is YOFSLMVXWZTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17-15-29(16-28-17)24-11-3-18(14-25(24)32-2)13-20-6-9-22-10-12-23(30(22)26(20)31)19-4-7-21(27)8-5-19/h3-9,11,14-16,23H,10,12-13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one?
3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 429.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 59591030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).