1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea

C25H32F3N5O2 — CID 174220519

About 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea

1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea (PubChem CID 174220519) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea
• PubChem CID: 174220519
• Molecular Formula: C25H32F3N5O2
• Molecular Weight: 491.56 g/mol
• Exact Mass: 491.25
• IUPAC Name: 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea
• SMILES: CCC(CC(C)C(F)(F)F)NC(=O)N(CC)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1
• InChI: InChI=1S/C25H32F3N5O2/c1-6-20(13-16(3)25(26,27)28)30-24(34)33(7-2)17(4)18-9-8-10-19(14-18)21-15-32-12-11-29-22(32)23(31-21)35-5/h8-12,14-17,20H,6-7,13H2,1-5H3,(H,30,34)
• InChIKey: WAJKTKSSAXFAJP-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.56
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea?

The IUPAC name of 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea (CID 174220519) is 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea.

What is the SMILES notation for 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea?

The canonical SMILES for 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea is CCC(CC(C)C(F)(F)F)NC(=O)N(CC)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1.

What is the InChIKey of 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea?

The InChIKey is WAJKTKSSAXFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-6-20(13-16(3)25(26,27)28)30-24(34)33(7-2)17(4)18-9-8-10-19(14-18)21-15-32-12-11-29-22(32)23(31-21)35-5/h8-12,14-17,20H,6-7,13H2,1-5H3,(H,30,34).

What are the key properties of 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea?

1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea has a molecular weight of 491.56 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea is sourced from PubChem (CID 174220519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).