3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid

C24H29F3N4O6 — CID 175469479

About 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid

3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 175469479) has the molecular formula C24H29F3N4O6 and a molecular weight of 526.51 g/mol. Its IUPAC name is 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
• PubChem CID: 175469479
• Molecular Formula: C24H29F3N4O6
• Molecular Weight: 526.51 g/mol
• Exact Mass: 526.20
• IUPAC Name: 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
• SMILES: Cc1nn(C2CCC(=O)NC2=O)c2cccc(OC3CC(OC4CCNCC4)C3)c12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H28N4O4.C2HF3O2/c1-13-21-17(26(25-13)18-5-6-20(27)24-22(18)28)3-2-4-19(21)30-16-11-15(12-16)29-14-7-9-23-10-8-14;3-2(4,5)1(6)7/h2-4,14-16,18,23H,5-12H2,1H3,(H,24,27,28);(H,6,7)
• InChIKey: GGBVOJDQYSFRSP-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 131.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.51
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 175469479) is 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid is Cc1nn(C2CCC(=O)NC2=O)c2cccc(OC3CC(OC4CCNCC4)C3)c12.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid?

The InChIKey is GGBVOJDQYSFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4.C2HF3O2/c1-13-21-17(26(25-13)18-5-6-20(27)24-22(18)28)3-2-4-19(21)30-16-11-15(12-16)29-14-7-9-23-10-8-14;3-2(4,5)1(6)7/h2-4,14-16,18,23H,5-12H2,1H3,(H,24,27,28);(H,6,7).

What are the key properties of 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid?

3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 526.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175469479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).