1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C26H23N7O — CID 11496099

About 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 11496099) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• PubChem CID: 11496099
• Molecular Formula: C26H23N7O
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.20
• IUPAC Name: 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• SMILES: Cc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1
• InChI: InChI=1S/C26H23N7O/c1-18-4-2-6-21(14-18)30-26(34)31-22-7-3-5-20(15-22)23-17-33-13-12-28-25(33)24(32-23)29-16-19-8-10-27-11-9-19/h2-15,17H,16H2,1H3,(H,29,32)(H2,30,31,34)
• InChIKey: ZWQJXXDUCZISDN-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 96.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The IUPAC name of 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 11496099) is 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

What is the SMILES notation for 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The canonical SMILES for 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is Cc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1.

What is the InChIKey of 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The InChIKey is ZWQJXXDUCZISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-18-4-2-6-21(14-18)30-26(34)31-22-7-3-5-20(15-22)23-17-33-13-12-28-25(33)24(32-23)29-16-19-8-10-27-11-9-19/h2-15,17H,16H2,1H3,(H,29,32)(H2,30,31,34).

What are the key properties of 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 449.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 11496099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).