5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid

C45H50F3N7O8 — CID 175102892

About 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid

5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid (PubChem CID 175102892) has the molecular formula C45H50F3N7O8 and a molecular weight of 873.93 g/mol. Its IUPAC name is 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
• PubChem CID: 175102892
• Molecular Formula: C45H50F3N7O8
• Molecular Weight: 873.93 g/mol
• Exact Mass: 873.37
• IUPAC Name: 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
• SMILES: C[C@H]1CCc2c(ccc(-c3cnn(C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)c3)c2OC2CCC2)N1C(=O)C1CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C43H49N7O6.C2HF3O2/c1-25-5-9-34-36(49(25)41(53)27-6-7-27)12-11-32(39(34)56-31-3-2-4-31)28-20-44-48(24-28)29-15-17-46(18-16-29)21-26-22-47(23-26)30-8-10-33-35(19-30)43(55)50(42(33)54)37-13-14-38(51)45-40(37)52;3-2(4,5)1(6)7/h8,10-12,19-20,24-27,29,31,37H,2-7,9,13-18,21-23H2,1H3,(H,45,51,52);(H,6,7)/t25-,37?;/m0./s1
• InChIKey: ZUSAIFIBHYUZIT-BLQQZUKLSA-N
• XLogP: 5.37
• TPSA: 174.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.93
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid (CID 175102892) is 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid is C[C@H]1CCc2c(ccc(-c3cnn(C4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)c3)c2OC2CCC2)N1C(=O)C1CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid?

The InChIKey is ZUSAIFIBHYUZIT-BLQQZUKLSA-N. The full InChI is InChI=1S/C43H49N7O6.C2HF3O2/c1-25-5-9-34-36(49(25)41(53)27-6-7-27)12-11-32(39(34)56-31-3-2-4-31)28-20-44-48(24-28)29-15-17-46(18-16-29)21-26-22-47(23-26)30-8-10-33-35(19-30)43(55)50(42(33)54)37-13-14-38(51)45-40(37)52;3-2(4,5)1(6)7/h8,10-12,19-20,24-27,29,31,37H,2-7,9,13-18,21-23H2,1H3,(H,45,51,52);(H,6,7)/t25-,37?;/m0./s1.

What are the key properties of 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid?

5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid has a molecular weight of 873.93 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[4-[4-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175102892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).