N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide

C29H27N5O — CID 140922972

About N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide

N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide (PubChem CID 140922972) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
• PubChem CID: 140922972
• Molecular Formula: C29H27N5O
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
• SMILES: CC(C)(Cc1cccc(-c2cn3ccnc3c(Nc3ccccc3)n2)c1)NC(=O)c1ccccc1
• InChI: InChI=1S/C29H27N5O/c1-29(2,33-28(35)22-11-5-3-6-12-22)19-21-10-9-13-23(18-21)25-20-34-17-16-30-27(34)26(32-25)31-24-14-7-4-8-15-24/h3-18,20H,19H2,1-2H3,(H,31,32)(H,33,35)
• InChIKey: GDPVSFYFBBJYLI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide?

The IUPAC name of N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide (CID 140922972) is N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide.

What is the SMILES notation for N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide?

The canonical SMILES for N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide is CC(C)(Cc1cccc(-c2cn3ccnc3c(Nc3ccccc3)n2)c1)NC(=O)c1ccccc1.

What is the InChIKey of N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide?

The InChIKey is GDPVSFYFBBJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-29(2,33-28(35)22-11-5-3-6-12-22)19-21-10-9-13-23(18-21)25-20-34-17-16-30-27(34)26(32-25)31-24-14-7-4-8-15-24/h3-18,20H,19H2,1-2H3,(H,31,32)(H,33,35).

What are the key properties of N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide?

N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide has a molecular weight of 461.57 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide is sourced from PubChem (CID 140922972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).