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

C21H25N5O2 — CID 70890039

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

1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 70890039) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• PubChem CID: 70890039
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
• SMILES: CCNC(=O)Nc1cccc(-c2cnc3cc(N4CCO[C@H](C)C4)ccn23)c1
• InChI: InChI=1S/C21H25N5O2/c1-3-22-21(27)24-17-6-4-5-16(11-17)19-13-23-20-12-18(7-8-26(19)20)25-9-10-28-15(2)14-25/h4-8,11-13,15H,3,9-10,14H2,1-2H3,(H2,22,24,27)/t15-/m1/s1
• InChIKey: LJEDPQGHAORXLK-OAHLLOKOSA-N
• XLogP: 3.37
• TPSA: 70.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 70890039) is 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

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

The canonical SMILES for 1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CCNC(=O)Nc1cccc(-c2cnc3cc(N4CCO[C@H](C)C4)ccn23)c1.

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

The InChIKey is LJEDPQGHAORXLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-22-21(27)24-17-6-4-5-16(11-17)19-13-23-20-12-18(7-8-26(19)20)25-9-10-28-15(2)14-25/h4-8,11-13,15H,3,9-10,14H2,1-2H3,(H2,22,24,27)/t15-/m1/s1.

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

1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 379.46 g/mol, XLogP of 3.37, 4 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-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 70890039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).