[(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone

C30H25FN6OS — CID 166082234

About [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone

[(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (PubChem CID 166082234) has the molecular formula C30H25FN6OS and a molecular weight of 536.64 g/mol. Its IUPAC name is [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.

Molecular Properties

• Compound Name: [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
• PubChem CID: 166082234
• Molecular Formula: C30H25FN6OS
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.18
• IUPAC Name: [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
• SMILES: Cc1nsc(-c2nc(N=C(c3ccccc3)c3ccccc3)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
• InChI: InChI=1S/C30H25FN6OS/c1-19-26-27(33-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22)34-28(29-32-20(2)35-39-29)37(26)18-17-36(19)30(38)23-13-15-24(31)16-14-23/h3-16,19H,17-18H2,1-2H3/t19-/m1/s1
• InChIKey: CNHLWSQFOYDDMK-LJQANCHMSA-N
• XLogP: 6.24
• TPSA: 76.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?

The IUPAC name of [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (CID 166082234) is [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.

What is the SMILES notation for [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?

The canonical SMILES for [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is Cc1nsc(-c2nc(N=C(c3ccccc3)c3ccccc3)c3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.

What is the InChIKey of [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?

The InChIKey is CNHLWSQFOYDDMK-LJQANCHMSA-N. The full InChI is InChI=1S/C30H25FN6OS/c1-19-26-27(33-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22)34-28(29-32-20(2)35-39-29)37(26)18-17-36(19)30(38)23-13-15-24(31)16-14-23/h3-16,19H,17-18H2,1-2H3/t19-/m1/s1.

What are the key properties of [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?

[(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone has a molecular weight of 536.64 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 166082234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).