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

C27H27FN4O2 — CID 74395739

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

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (PubChem CID 74395739) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one.

Molecular Properties

• Compound Name: 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
• PubChem CID: 74395739
• Molecular Formula: C27H27FN4O2
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.21
• IUPAC Name: 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one
• SMILES: COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CCCC(C)N23)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C27H27FN4O2/c1-18-16-31(17-29-18)23-12-6-20(15-24(23)34-3)7-13-25-30-26(33)27(14-4-5-19(2)32(25)27)21-8-10-22(28)11-9-21/h6-13,15-17,19H,4-5,14H2,1-3H3
• InChIKey: WKWLYNXFGWAYOQ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 59.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?

The IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one (CID 74395739) is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one.

What is the SMILES notation for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?

The canonical SMILES for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one is COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CCCC(C)N23)ccc1-n1cnc(C)c1.

What is the InChIKey of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?

The InChIKey is WKWLYNXFGWAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-18-16-31(17-29-18)23-12-6-20(15-24(23)34-3)7-13-25-30-26(33)27(14-4-5-19(2)32(25)27)21-8-10-22(28)11-9-21/h6-13,15-17,19H,4-5,14H2,1-3H3.

What are the key properties of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one?

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one has a molecular weight of 458.54 g/mol, XLogP of 5.05, 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-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 74395739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).