3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C48H49F4N9 — CID 154970576

About 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 154970576) has the molecular formula C48H49F4N9 and a molecular weight of 827.98 g/mol. Its IUPAC name is 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
• PubChem CID: 154970576
• Molecular Formula: C48H49F4N9
• Molecular Weight: 827.98 g/mol
• Exact Mass: 827.40
• IUPAC Name: 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
• SMILES: Cc1nc(-c2ccc(Cc3nc(-c4ccccc4C(C)C)c4n3CCN(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)C4)nc2C(C)C)c2n1CCN(c1ccc(F)cc1)C2
• InChI: InChI=1S/C48H49F4N9/c1-29(2)37-9-7-8-10-38(37)45-41-27-59(35-16-11-32(12-17-35)47-55-42(28-57(47)6)48(50,51)52)22-24-61(41)43(56-45)25-34-15-20-39(44(54-34)30(3)4)46-40-26-58(21-23-60(40)31(5)53-46)36-18-13-33(49)14-19-36/h7-20,28-30H,21-27H2,1-6H3
• InChIKey: QJLXODIAHPGXIM-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 72.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.98
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The IUPAC name of 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 154970576) is 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

What is the SMILES notation for 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The canonical SMILES for 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(-c2ccc(Cc3nc(-c4ccccc4C(C)C)c4n3CCN(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)C4)nc2C(C)C)c2n1CCN(c1ccc(F)cc1)C2.

What is the InChIKey of 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The InChIKey is QJLXODIAHPGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49F4N9/c1-29(2)37-9-7-8-10-38(37)45-41-27-59(35-16-11-32(12-17-35)47-55-42(28-57(47)6)48(50,51)52)22-24-61(41)43(56-45)25-34-15-20-39(44(54-34)30(3)4)46-40-26-58(21-23-60(40)31(5)53-46)36-18-13-33(49)14-19-36/h7-20,28-30H,21-27H2,1-6H3.

What are the key properties of 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 827.98 g/mol, XLogP of 10.55, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[7-(4-fluorophenyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 154970576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).