1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea

C25H32F3N5O2 — CID 174220180

About 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea

1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea (PubChem CID 174220180) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea.

Molecular Properties

• Compound Name: 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea
• PubChem CID: 174220180
• Molecular Formula: C25H32F3N5O2
• Molecular Weight: 491.56 g/mol
• Exact Mass: 491.25
• IUPAC Name: 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea
• SMILES: CCCN(C(=O)NC(CC)CCC(F)(F)F)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1
• InChI: InChI=1S/C25H32F3N5O2/c1-5-13-33(24(34)30-20(6-2)10-11-25(26,27)28)17(3)18-8-7-9-19(15-18)21-16-32-14-12-29-22(32)23(31-21)35-4/h7-9,12,14-17,20H,5-6,10-11,13H2,1-4H3,(H,30,34)
• InChIKey: HVISBYBIYMGHRY-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.56
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea (CID 174220180) is 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea.

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

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

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

The InChIKey is HVISBYBIYMGHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-5-13-33(24(34)30-20(6-2)10-11-25(26,27)28)17(3)18-8-7-9-19(15-18)21-16-32-14-12-29-22(32)23(31-21)35-4/h7-9,12,14-17,20H,5-6,10-11,13H2,1-4H3,(H,30,34).

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

1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea has a molecular weight of 491.56 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea is sourced from PubChem (CID 174220180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).