6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C43H48N8O6 — CID 164919486

About 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164919486) has the molecular formula C43H48N8O6 and a molecular weight of 772.91 g/mol. Its IUPAC name is 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164919486
• Molecular Formula: C43H48N8O6
• Molecular Weight: 772.91 g/mol
• Exact Mass: 772.37
• IUPAC Name: 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc5c(cc43)CCCC5)nn2C2CCN(C(=O)CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
• InChI: InChI=1S/C43H48N8O6/c1-25(52)48-16-12-35-34(23-48)40(49-13-4-7-28-17-26-5-2-3-6-27(26)20-37(28)49)45-51(35)31-10-14-47(15-11-31)39(54)24-46-21-29-18-32-33(19-30(29)22-46)43(57)50(42(32)56)36-8-9-38(53)44-41(36)55/h17-20,31,36H,2-16,21-24H2,1H3,(H,44,53,55)
• InChIKey: UCTWGEMNODITAB-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 148.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	772.91
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164919486) is 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CC(=O)N1CCc2c(c(N3CCCc4cc5c(cc43)CCCC5)nn2C2CCN(C(=O)CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1.

What is the InChIKey of 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is UCTWGEMNODITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N8O6/c1-25(52)48-16-12-35-34(23-48)40(49-13-4-7-28-17-26-5-2-3-6-27(26)20-37(28)49)45-51(35)31-10-14-47(15-11-31)39(54)24-46-21-29-18-32-33(19-30(29)22-46)43(57)50(42(32)56)36-8-9-38(53)44-41(36)55/h17-20,31,36H,2-16,21-24H2,1H3,(H,44,53,55).

What are the key properties of 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 772.91 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-[5-acetyl-3-(3,4,6,7,8,9-hexahydro-2H-benzo[g]quinolin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164919486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).