1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea

C21H23F3N4O4 — CID 46947364

About 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 46947364) has the molecular formula C21H23F3N4O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 46947364
• Molecular Formula: C21H23F3N4O4
• Molecular Weight: 452.43 g/mol
• Exact Mass: 452.17
• IUPAC Name: 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: CC(C)Oc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(OCCO)ccn23)c1
• InChI: InChI=1S/C21H23F3N4O4/c1-13(2)32-17-8-14(7-15(9-17)27-20(30)26-12-21(22,23)24)18-11-25-19-10-16(31-6-5-29)3-4-28(18)19/h3-4,7-11,13,29H,5-6,12H2,1-2H3,(H2,26,27,30)
• InChIKey: LFASGFRRNHXDMZ-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 97.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.43
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea (CID 46947364) is 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea is CC(C)Oc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(OCCO)ccn23)c1.

What is the InChIKey of 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is LFASGFRRNHXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4/c1-13(2)32-17-8-14(7-15(9-17)27-20(30)26-12-21(22,23)24)18-11-25-19-10-16(31-6-5-29)3-4-28(18)19/h3-4,7-11,13,29H,5-6,12H2,1-2H3,(H2,26,27,30).

What are the key properties of 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 452.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 46947364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).