1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C68H79N15O — CID 154970497

About 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 154970497) has the molecular formula C68H79N15O and a molecular weight of 1122.48 g/mol. Its IUPAC name is 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
• PubChem CID: 154970497
• Molecular Formula: C68H79N15O
• Molecular Weight: 1122.48 g/mol
• Exact Mass: 1121.66
• IUPAC Name: 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
• SMILES: COc1ccc(N2CCn3c(Cc4cnc(C(C)C)c(-c5nc(Cc6ccc(-c7nc(C)n8c7CN(c7ccc(C)cc7)CC8)c(C(C)C)n6)n6c5CN(c5cc(N7CCCCC7)ncn5)CC6)c4)nc(-c4cccnc4C(C)C)c3C2)cc1
• InChI: InChI=1S/C68H79N15O/c1-43(2)63-53(14-13-25-69-63)67-57-40-79(51-20-22-52(84-9)23-21-51)29-32-82(57)61(75-67)35-48-34-55(64(44(3)4)70-38-48)68-58-41-80(60-37-59(71-42-72-60)77-26-11-10-12-27-77)30-33-83(58)62(76-68)36-49-17-24-54(65(74-49)45(5)6)66-56-39-78(28-31-81(56)47(8)73-66)50-18-15-46(7)16-19-50/h13-25,34,37-38,42-45H,10-12,26-33,35-36,39-41H2,1-9H3
• InChIKey: UVGTZFDOTLSIBI-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 140.10 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1122.48
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The IUPAC name of 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 154970497) is 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

What is the SMILES notation for 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The canonical SMILES for 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is COc1ccc(N2CCn3c(Cc4cnc(C(C)C)c(-c5nc(Cc6ccc(-c7nc(C)n8c7CN(c7ccc(C)cc7)CC8)c(C(C)C)n6)n6c5CN(c5cc(N7CCCCC7)ncn5)CC6)c4)nc(-c4cccnc4C(C)C)c3C2)cc1.

What is the InChIKey of 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

The InChIKey is UVGTZFDOTLSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H79N15O/c1-43(2)63-53(14-13-25-69-63)67-57-40-79(51-20-22-52(84-9)23-21-51)29-32-82(57)61(75-67)35-48-34-55(64(44(3)4)70-38-48)68-58-41-80(60-37-59(71-42-72-60)77-26-11-10-12-27-77)30-33-83(58)62(76-68)36-49-17-24-54(65(74-49)45(5)6)66-56-39-78(28-31-81(56)47(8)73-66)50-18-15-46(7)16-19-50/h13-25,34,37-38,42-45H,10-12,26-33,35-36,39-41H2,1-9H3.

What are the key properties of 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?

1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 1122.48 g/mol, XLogP of 12.48, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 154970497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).