1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C28H27N7O3 — CID 143051038

About 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 143051038) has the molecular formula C28H27N7O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• PubChem CID: 143051038
• Molecular Formula: C28H27N7O3
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.22
• IUPAC Name: 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• SMILES: COc1cc(OC)c(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1C
• InChI: InChI=1S/C28H27N7O3/c1-18-13-22(25(38-3)15-24(18)37-2)34-28(36)32-21-6-4-5-20(14-21)23-17-35-12-11-30-27(35)26(33-23)31-16-19-7-9-29-10-8-19/h4-15,17H,16H2,1-3H3,(H,31,33)(H2,32,34,36)
• InChIKey: AAZDXQDDTNSJRK-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 114.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 143051038) is 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

What is the SMILES notation for 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The canonical SMILES for 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is COc1cc(OC)c(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1C.

What is the InChIKey of 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The InChIKey is AAZDXQDDTNSJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3/c1-18-13-22(25(38-3)15-24(18)37-2)34-28(36)32-21-6-4-5-20(14-21)23-17-35-12-11-30-27(35)26(33-23)31-16-19-7-9-29-10-8-19/h4-15,17H,16H2,1-3H3,(H,31,33)(H2,32,34,36).

What are the key properties of 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 509.57 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 143051038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).