8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one

C26H25FN4O2 — CID 25142140

IUPAC8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
SMILESCOc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCCC(=O)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-15-30(17-29-18)22-11-5-19(14-23(22)33-2)6-12-24-28-16-26(13-3-4-25(32)31(24)26)20-7-9-21(27)10-8-20/h5-12,14-15,17H,3-4,13,16H2,1-2H3/b12-6+
InChIKeyAYEPFVHMVJGEHP-WUXMJOGZSA-N
MW444.51 g/mol
LogP4.66
Rot. Bonds5

About 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one

8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one (PubChem CID 25142140) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
PubChem CID25142140
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
SMILESCOc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCCC(=O)N23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-15-30(17-29-18)22-11-5-19(14-23(22)33-2)6-12-24-28-16-26(13-3-4-25(32)31(24)26)20-7-9-21(27)10-8-20/h5-12,14-15,17H,3-4,13,16H2,1-2H3/b12-6+
InChIKeyAYEPFVHMVJGEHP-WUXMJOGZSA-N
XLogP4.66
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
CID 59527987
9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine
CID 25142009
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
CID 25141492
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-[1,2,4]oxadiazolo[5,4-c][1,4]oxazine
CID 74389638
5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one
CID 74402818
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 74396066
5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]pyrimidin-3-one
CID 74402717
5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 25145407
(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
5-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 25144854
(2E)-8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-methyl-3,4,4a,5,6,7-hexahydropyrido[1,2-b]thiazine 1,1-dioxide
CID 25184555
(8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 90787949

Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one?
The IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one (CID 25142140) is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one is COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCCC(=O)N23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one?
The InChIKey is AYEPFVHMVJGEHP-WUXMJOGZSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-18-15-30(17-29-18)22-11-5-19(14-23(22)33-2)6-12-24-28-16-26(13-3-4-25(32)31(24)26)20-7-9-21(27)10-8-20/h5-12,14-15,17H,3-4,13,16H2,1-2H3/b12-6+.
What are the key properties of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one?
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one has a molecular weight of 444.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one is sourced from PubChem (CID 25142140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).