7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

C32H31N7O2S — CID 175594909

About 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine (PubChem CID 175594909) has the molecular formula C32H31N7O2S and a molecular weight of 577.71 g/mol. Its IUPAC name is 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
• PubChem CID: 175594909
• Molecular Formula: C32H31N7O2S
• Molecular Weight: 577.71 g/mol
• Exact Mass: 577.23
• IUPAC Name: 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3ccc4nccn4c3)c3nc(-c4ccc(N5CCN(C)CC5)c(C)c4)cnc32)cc1
• InChI: InChI=1S/C32H31N7O2S/c1-22-4-8-26(9-5-22)42(40,41)39-21-27(25-7-11-30-33-12-13-38(30)20-25)31-32(39)34-19-28(35-31)24-6-10-29(23(2)18-24)37-16-14-36(3)15-17-37/h4-13,18-21H,14-17H2,1-3H3
• InChIKey: VIBOMEFQWFDUEZ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 88.63 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.71
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?

The IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine (CID 175594909) is 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine.

What is the SMILES notation for 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?

The canonical SMILES for 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc4nccn4c3)c3nc(-c4ccc(N5CCN(C)CC5)c(C)c4)cnc32)cc1.

What is the InChIKey of 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?

The InChIKey is VIBOMEFQWFDUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O2S/c1-22-4-8-26(9-5-22)42(40,41)39-21-27(25-7-11-30-33-12-13-38(30)20-25)31-32(39)34-19-28(35-31)24-6-10-29(23(2)18-24)37-16-14-36(3)15-17-37/h4-13,18-21H,14-17H2,1-3H3.

What are the key properties of 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?

7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine has a molecular weight of 577.71 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 175594909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).