1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea

C25H24F3N3O3 — CID 166008675

About 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea (PubChem CID 166008675) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea.

Molecular Properties

• Compound Name: 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea
• PubChem CID: 166008675
• Molecular Formula: C25H24F3N3O3
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.18
• IUPAC Name: 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea
• SMILES: CC1CC(NC(=O)NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)O1
• InChI: InChI=1S/C25H24F3N3O3/c1-12-6-20(24(32)34-12)30-25(33)29-11-13-7-15(8-13)21-18-9-17(27)10-19(28)23(18)31-22(21)14-2-4-16(26)5-3-14/h2-5,9-10,12-13,15,20,31H,6-8,11H2,1H3,(H2,29,30,33)
• InChIKey: IQEFZZWEVXQHED-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 83.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea?

The IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea (CID 166008675) is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea.

What is the SMILES notation for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea?

The canonical SMILES for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea is CC1CC(NC(=O)NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)O1.

What is the InChIKey of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea?

The InChIKey is IQEFZZWEVXQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-12-6-20(24(32)34-12)30-25(33)29-11-13-7-15(8-13)21-18-9-17(27)10-19(28)23(18)31-22(21)14-2-4-16(26)5-3-14/h2-5,9-10,12-13,15,20,31H,6-8,11H2,1H3,(H2,29,30,33).

What are the key properties of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea?

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea has a molecular weight of 471.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5-methyl-2-oxooxolan-3-yl)urea is sourced from PubChem (CID 166008675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).