3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

C31H26N6O2 — CID 10436513

About 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 10436513) has the molecular formula C31H26N6O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
• PubChem CID: 10436513
• Molecular Formula: C31H26N6O2
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.21
• IUPAC Name: 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3cn4ccnc4c(-n4ccnc4-c4ccc(C)cc4)n3)c2)ccc1C
• InChI: InChI=1S/C31H26N6O2/c1-20-7-10-22(11-8-20)28-32-14-16-37(28)30-29-33-13-15-36(29)19-26(35-30)23-5-4-6-25(17-23)34-31(38)24-12-9-21(2)27(18-24)39-3/h4-19H,1-3H3,(H,34,38)
• InChIKey: KEPOIARIOBPZOL-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The IUPAC name of 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (CID 10436513) is 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

What is the SMILES notation for 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The canonical SMILES for 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-c3cn4ccnc4c(-n4ccnc4-c4ccc(C)cc4)n3)c2)ccc1C.

What is the InChIKey of 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The InChIKey is KEPOIARIOBPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O2/c1-20-7-10-22(11-8-20)28-32-14-16-37(28)30-29-33-13-15-36(29)19-26(35-30)23-5-4-6-25(17-23)34-31(38)24-12-9-21(2)27(18-24)39-3/h4-19H,1-3H3,(H,34,38).

What are the key properties of 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 514.59 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-4-methyl-N-[3-[8-[2-(4-methylphenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 10436513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).