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

C23H21F3N2O2 — CID 162389716

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

[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone (PubChem CID 162389716) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
• PubChem CID: 162389716
• Molecular Formula: C23H21F3N2O2
• Molecular Weight: 414.43 g/mol
• Exact Mass: 414.16
• IUPAC Name: [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
• SMILES: O=C(C1CCO1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C23H21F3N2O2/c24-15-3-1-14(2-4-15)21-17(18-10-16(25)11-19(26)22(18)27-21)9-13-5-7-28(12-13)23(29)20-6-8-30-20/h1-4,10-11,13,20,27H,5-9,12H2
• InChIKey: RTAKVQSGGPXNBR-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 45.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.43
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
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]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone?

The IUPAC name of [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone (CID 162389716) is [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone.

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

The canonical SMILES for [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone is O=C(C1CCO1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

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

The InChIKey is RTAKVQSGGPXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-15-3-1-14(2-4-15)21-17(18-10-16(25)11-19(26)22(18)27-21)9-13-5-7-28(12-13)23(29)20-6-8-30-20/h1-4,10-11,13,20,27H,5-9,12H2.

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

[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone has a molecular weight of 414.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 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]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone is sourced from PubChem (CID 162389716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).