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

C24H24F3N3O2 — CID 156816375

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

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea (PubChem CID 156816375) 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-[(1-hydroxycyclopropyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea
• PubChem CID: 156816375
• 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-[(1-hydroxycyclopropyl)methyl]urea
• SMILES: O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NCC1(O)CC1
• InChI: InChI=1S/C24H24F3N3O2/c25-16-3-1-14(2-4-16)21-20(18-9-17(26)10-19(27)22(18)30-21)15-7-13(8-15)11-28-23(31)29-12-24(32)5-6-24/h1-4,9-10,13,15,30,32H,5-8,11-12H2,(H2,28,29,31)
• InChIKey: WRVBZLOHDBNDFQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 77.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• 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-[(1-hydroxycyclopropyl)methyl]urea?

The IUPAC name of 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea (CID 156816375) is 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea.

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

The canonical SMILES for 1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea is O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NCC1(O)CC1.

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

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

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

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea has a molecular weight of 443.47 g/mol, XLogP of 4.57, 6 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-[(1-hydroxycyclopropyl)methyl]urea is sourced from PubChem (CID 156816375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).