5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C38H37F3N6O5 — CID 175914665

About 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175914665) has the molecular formula C38H37F3N6O5 and a molecular weight of 714.75 g/mol. Its IUPAC name is 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 175914665
• Molecular Formula: C38H37F3N6O5
• Molecular Weight: 714.75 g/mol
• Exact Mass: 714.28
• IUPAC Name: 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C3)ccc21
• InChI: InChI=1S/C38H37F3N6O5/c39-38(40,41)52-27-6-3-23(4-7-27)31-21-45(13-1-12-42)32-9-2-22(14-29(31)32)16-44-17-24(18-44)25-19-46(20-25)26-5-8-28-30(15-26)37(51)47(36(28)50)33-10-11-34(48)43-35(33)49/h2-9,14-15,21,24-25,33H,1,10-13,16-20,42H2,(H,43,48,49)
• InChIKey: PFFQFWHQSCBBQB-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 130.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	714.75
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175914665) is 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C3)ccc21.

What is the InChIKey of 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is PFFQFWHQSCBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F3N6O5/c39-38(40,41)52-27-6-3-23(4-7-27)31-21-45(13-1-12-42)32-9-2-22(14-29(31)32)16-44-17-24(18-44)25-19-46(20-25)26-5-8-28-30(15-26)37(51)47(36(28)50)33-10-11-34(48)43-35(33)49/h2-9,14-15,21,24-25,33H,1,10-13,16-20,42H2,(H,43,48,49).

What are the key properties of 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 714.75 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[1-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]azetidin-3-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).