1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea

C23H24F6N6O3 — CID 174220358

About 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea

1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea (PubChem CID 174220358) has the molecular formula C23H24F6N6O3 and a molecular weight of 546.47 g/mol. Its IUPAC name is 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea
• PubChem CID: 174220358
• Molecular Formula: C23H24F6N6O3
• Molecular Weight: 546.47 g/mol
• Exact Mass: 546.18
• IUPAC Name: 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea
• SMILES: CCN(C(=O)NC1CC(C(F)(F)F)C1)C(c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F
• InChI: InChI=1S/C23H24F6N6O3/c1-4-35(21(36)32-13-7-12(8-13)22(24,25)26)18(23(27,28)29)15-9-14(17(37-2)10-31-15)16-11-34-6-5-30-19(34)20(33-16)38-3/h5-6,9-13,18H,4,7-8H2,1-3H3,(H,32,36)
• InChIKey: DMVYLXYALHPQLN-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.47
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea?

The IUPAC name of 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea (CID 174220358) is 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea.

What is the SMILES notation for 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea?

The canonical SMILES for 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea is CCN(C(=O)NC1CC(C(F)(F)F)C1)C(c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F.

What is the InChIKey of 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea?

The InChIKey is DMVYLXYALHPQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N6O3/c1-4-35(21(36)32-13-7-12(8-13)22(24,25)26)18(23(27,28)29)15-9-14(17(37-2)10-31-15)16-11-34-6-5-30-19(34)20(33-16)38-3/h5-6,9-13,18H,4,7-8H2,1-3H3,(H,32,36).

What are the key properties of 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea?

1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea has a molecular weight of 546.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[3-(trifluoromethyl)cyclobutyl]urea is sourced from PubChem (CID 174220358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).