4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide

C33H34N6O2 — CID 58688035

About 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide

4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide (PubChem CID 58688035) has the molecular formula C33H34N6O2 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
• PubChem CID: 58688035
• Molecular Formula: C33H34N6O2
• Molecular Weight: 546.68 g/mol
• Exact Mass: 546.27
• IUPAC Name: 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
• SMILES: Cc1ccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N(C)C)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C33H34N6O2/c1-21-7-8-24(19-27(21)37-31(40)22-9-13-25(14-10-22)33(2,3)4)28-20-39-18-17-34-30(39)29(36-28)35-26-15-11-23(12-16-26)32(41)38(5)6/h7-20H,1-6H3,(H,35,36)(H,37,40)
• InChIKey: HXUWGHQADFSRSG-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 91.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.68
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide (CID 58688035) is 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide is Cc1ccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N(C)C)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?

The InChIKey is HXUWGHQADFSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O2/c1-21-7-8-24(19-27(21)37-31(40)22-9-13-25(14-10-22)33(2,3)4)28-20-39-18-17-34-30(39)29(36-28)35-26-15-11-23(12-16-26)32(41)38(5)6/h7-20H,1-6H3,(H,35,36)(H,37,40).

What are the key properties of 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?

4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide has a molecular weight of 546.68 g/mol, XLogP of 6.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 58688035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).