1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea

C28H32N6O — CID 59321072

About 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 59321072) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• PubChem CID: 59321072
• Molecular Formula: C28H32N6O
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.26
• IUPAC Name: 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• SMILES: CCNC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCN(C)CC5)c4)ccn23)c1
• InChI: InChI=1S/C28H32N6O/c1-3-29-28(35)31-25-9-5-8-24(17-25)26-19-30-27-18-23(10-11-34(26)27)22-7-4-6-21(16-22)20-33-14-12-32(2)13-15-33/h4-11,16-19H,3,12-15,20H2,1-2H3,(H2,29,31,35)
• InChIKey: KFZFPYAMHCZAGF-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 64.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The IUPAC name of 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 59321072) is 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

What is the SMILES notation for 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The canonical SMILES for 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CCNC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCN(C)CC5)c4)ccn23)c1.

What is the InChIKey of 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

The InChIKey is KFZFPYAMHCZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-3-29-28(35)31-25-9-5-8-24(17-25)26-19-30-27-18-23(10-11-34(26)27)22-7-4-6-21(16-22)20-33-14-12-32(2)13-15-33/h4-11,16-19H,3,12-15,20H2,1-2H3,(H2,29,31,35).

What are the key properties of 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea?

1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 468.61 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 59321072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).