8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine

C22H20Cl2N4O — CID 134600964

About 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine

8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine (PubChem CID 134600964) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine
• PubChem CID: 134600964
• Molecular Formula: C22H20Cl2N4O
• Molecular Weight: 427.34 g/mol
• Exact Mass: 426.10
• IUPAC Name: 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine
• SMILES: COc1c(C(C)c2nc(C)c3c(Cl)nccn23)cc(Cl)c(C)c1-c1cccnc1
• InChI: InChI=1S/C22H20Cl2N4O/c1-12(22-27-14(3)19-21(24)26-8-9-28(19)22)16-10-17(23)13(2)18(20(16)29-4)15-6-5-7-25-11-15/h5-12H,1-4H3
• InChIKey: OPWPSMNWNYOSPD-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.34
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine?

The IUPAC name of 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine (CID 134600964) is 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine.

What is the SMILES notation for 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine?

The canonical SMILES for 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine is COc1c(C(C)c2nc(C)c3c(Cl)nccn23)cc(Cl)c(C)c1-c1cccnc1.

What is the InChIKey of 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine?

The InChIKey is OPWPSMNWNYOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c1-12(22-27-14(3)19-21(24)26-8-9-28(19)22)16-10-17(23)13(2)18(20(16)29-4)15-6-5-7-25-11-15/h5-12H,1-4H3.

What are the key properties of 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine?

8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine has a molecular weight of 427.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 134600964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).