[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C25H25F3N2O2 — CID 166008569

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 166008569) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 166008569
• Molecular Formula: C25H25F3N2O2
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.19
• IUPAC Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N1CCCC1CCO
• InChI: InChI=1S/C25H25F3N2O2/c26-17-5-3-14(4-6-17)23-22(20-12-18(27)13-21(28)24(20)29-23)15-10-16(11-15)25(32)30-8-1-2-19(30)7-9-31/h3-6,12-13,15-16,19,29,31H,1-2,7-11H2
• InChIKey: QLYDTDDXULNTDT-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 166008569) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

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

The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is O=C(C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N1CCCC1CCO.

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

The InChIKey is QLYDTDDXULNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c26-17-5-3-14(4-6-17)23-22(20-12-18(27)13-21(28)24(20)29-23)15-10-16(11-15)25(32)30-8-1-2-19(30)7-9-31/h3-6,12-13,15-16,19,29,31H,1-2,7-11H2.

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

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 442.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166008569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).