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

C23H21F3N2O — CID 162389674

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

cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 162389674) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 162389674
• Molecular Formula: C23H21F3N2O
• Molecular Weight: 398.43 g/mol
• Exact Mass: 398.16
• IUPAC Name: cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CC1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C23H21F3N2O/c24-16-5-3-14(4-6-16)21-18(19-10-17(25)11-20(26)22(19)27-21)9-13-7-8-28(12-13)23(29)15-1-2-15/h3-6,10-11,13,15,27H,1-2,7-9,12H2
• InChIKey: KYXQIPNIBJNHLN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 36.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.43
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone (CID 162389674) is cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

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

The InChIKey is KYXQIPNIBJNHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c24-16-5-3-14(4-6-16)21-18(19-10-17(25)11-20(26)22(19)27-21)9-13-7-8-28(12-13)23(29)15-1-2-15/h3-6,10-11,13,15,27H,1-2,7-9,12H2.

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

cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 398.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 162389674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).