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

C24H24F3N3O2 — CID 166008677

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

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea (PubChem CID 166008677) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea.

Molecular Properties

• Compound Name: 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
• PubChem CID: 166008677
• Molecular Formula: C24H24F3N3O2
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.18
• IUPAC Name: 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
• SMILES: O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1CC(O)C1
• InChI: InChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(19-7-16(26)8-20(27)23(19)30-22)14-5-12(6-14)11-28-24(32)29-17-9-18(31)10-17/h1-4,7-8,12,14,17-18,30-31H,5-6,9-11H2,(H2,28,29,32)
• InChIKey: DFSQJMKGNJTLFV-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 77.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea (CID 166008677) is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea.

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

The canonical SMILES for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea is O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1CC(O)C1.

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

The InChIKey is DFSQJMKGNJTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(19-7-16(26)8-20(27)23(19)30-22)14-5-12(6-14)11-28-24(32)29-17-9-18(31)10-17/h1-4,7-8,12,14,17-18,30-31H,5-6,9-11H2,(H2,28,29,32).

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

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea has a molecular weight of 443.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 4 hydrogen bond donors, and 2 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-(3-hydroxycyclobutyl)urea is sourced from PubChem (CID 166008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).