1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea

C26H33F3N4O2 — CID 174220535

About 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea

1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea (PubChem CID 174220535) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea
• PubChem CID: 174220535
• Molecular Formula: C26H33F3N4O2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.26
• IUPAC Name: 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea
• SMILES: CCC(CCC(F)(F)F)NC(=O)N(CC)C(C)c1ccc(OC)c(-c2cc(C)c3nccn3c2)c1
• InChI: InChI=1S/C26H33F3N4O2/c1-6-21(10-11-26(27,28)29)31-25(34)33(7-2)18(4)19-8-9-23(35-5)22(15-19)20-14-17(3)24-30-12-13-32(24)16-20/h8-9,12-16,18,21H,6-7,10-11H2,1-5H3,(H,31,34)
• InChIKey: VHTATNUAGIOMBY-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea?

The IUPAC name of 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea (CID 174220535) is 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea.

What is the SMILES notation for 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea?

The canonical SMILES for 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea is CCC(CCC(F)(F)F)NC(=O)N(CC)C(C)c1ccc(OC)c(-c2cc(C)c3nccn3c2)c1.

What is the InChIKey of 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea?

The InChIKey is VHTATNUAGIOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c1-6-21(10-11-26(27,28)29)31-25(34)33(7-2)18(4)19-8-9-23(35-5)22(15-19)20-14-17(3)24-30-12-13-32(24)16-20/h8-9,12-16,18,21H,6-7,10-11H2,1-5H3,(H,31,34).

What are the key properties of 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea?

1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea has a molecular weight of 490.57 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[1-[4-methoxy-3-(8-methylimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluorohexan-3-yl)urea is sourced from PubChem (CID 174220535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).