1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea

C22H20ClN5O3 — CID 86994420

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea (PubChem CID 86994420) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
• PubChem CID: 86994420
• Molecular Formula: C22H20ClN5O3
• Molecular Weight: 437.89 g/mol
• Exact Mass: 437.13
• IUPAC Name: 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
• SMILES: COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cn1
• InChI: InChI=1S/C22H20ClN5O3/c1-14-3-6-18(19(9-14)30-2)31-21-8-5-16(10-24-21)27-22(29)25-11-17-13-28-12-15(23)4-7-20(28)26-17/h3-10,12-13H,11H2,1-2H3,(H2,25,27,29)
• InChIKey: PFCTYYFZOACLFB-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 89.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.89
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea?

The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea (CID 86994420) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea.

What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea?

The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea is COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cn1.

What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea?

The InChIKey is PFCTYYFZOACLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-14-3-6-18(19(9-14)30-2)31-21-8-5-16(10-24-21)27-22(29)25-11-17-13-28-12-15(23)4-7-20(28)26-17/h3-10,12-13H,11H2,1-2H3,(H2,25,27,29).

What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea?

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea has a molecular weight of 437.89 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 86994420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).