8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one

C26H26FN5O2 — CID 74394517

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

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one (PubChem CID 74394517) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one.

Molecular Properties

• Compound Name: 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one
• PubChem CID: 74394517
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one
• SMILES: COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H26FN5O2/c1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20/h4-11,14-15,17H,12-13,16H2,1-3H3
• InChIKey: UCWADWGNNXJRCM-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 62.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one (CID 74394517) is 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one.

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

The canonical SMILES for 8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one is COc1cc(C=CC2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.

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

The InChIKey is UCWADWGNNXJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20/h4-11,14-15,17H,12-13,16H2,1-3H3.

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

8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one has a molecular weight of 459.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 74394517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).