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

C27H27FN4O2 — CID 59527987

About 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

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 (PubChem CID 59527987) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 59527987
• Molecular Formula: C27H27FN4O2
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.21
• IUPAC Name: 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
• SMILES: COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCC(C)C(=O)N23)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C27H27FN4O2/c1-18-12-13-27(21-6-8-22(28)9-7-21)16-29-25(32(27)26(18)33)11-5-20-4-10-23(24(14-20)34-3)31-15-19(2)30-17-31/h4-11,14-15,17-18H,12-13,16H2,1-3H3/b11-5+
• InChIKey: KQLRSDQCOZPYST-VZUCSPMQSA-N
• XLogP: 4.91
• TPSA: 59.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1cc(/C=C/C2=NCC3(c4ccc(F)cc4)CCC(C)C(=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]-6-methyl-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one?

The InChIKey is KQLRSDQCOZPYST-VZUCSPMQSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-18-12-13-27(21-6-8-22(28)9-7-21)16-29-25(32(27)26(18)33)11-5-20-4-10-23(24(14-20)34-3)31-15-19(2)30-17-31/h4-11,14-15,17-18H,12-13,16H2,1-3H3/b11-5+.

What are the key properties of 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?

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 has a molecular weight of 458.54 g/mol, XLogP of 4.91, 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]-6-methyl-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one is sourced from PubChem (CID 59527987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).