6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione

C44H48F2N8O6 — CID 164919388

About 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione

6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione (PubChem CID 164919388) has the molecular formula C44H48F2N8O6 and a molecular weight of 822.91 g/mol. Its IUPAC name is 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione
• PubChem CID: 164919388
• Molecular Formula: C44H48F2N8O6
• Molecular Weight: 822.91 g/mol
• Exact Mass: 822.37
• IUPAC Name: 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(C5CC5)c(C(F)F)cc43)nn2C2CCN(C(=O)CN3CCc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1
• InChI: InChI=1S/C44H48F2N8O6/c1-24(55)51-16-11-35-34(22-51)41(52-12-2-3-27-18-30(25-4-5-25)31(40(45)46)20-37(27)52)48-54(35)29-9-14-50(15-10-29)39(57)23-49-13-8-26-17-32-33(19-28(26)21-49)44(60)53(43(32)59)36-6-7-38(56)47-42(36)58/h17-20,25,29,36,40H,2-16,21-23H2,1H3,(H,47,56,58)
• InChIKey: HVOCQQFEQFFBOT-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 148.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	822.91
LogP ≤ 5	4.31
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-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione?

The IUPAC name of 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione (CID 164919388) is 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione.

What is the SMILES notation for 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione?

The canonical SMILES for 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione is CC(=O)N1CCc2c(c(N3CCCc4cc(C5CC5)c(C(F)F)cc43)nn2C2CCN(C(=O)CN3CCc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1.

What is the InChIKey of 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione?

The InChIKey is HVOCQQFEQFFBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48F2N8O6/c1-24(55)51-16-11-35-34(22-51)41(52-12-2-3-27-18-30(25-4-5-25)31(40(45)46)20-37(27)52)48-54(35)29-9-14-50(15-10-29)39(57)23-49-13-8-26-17-32-33(19-28(26)21-49)44(60)53(43(32)59)36-6-7-38(56)47-42(36)58/h17-20,25,29,36,40H,2-16,21-23H2,1H3,(H,47,56,58).

What are the key properties of 6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione?

6-[2-[4-[5-acetyl-3-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione has a molecular weight of 822.91 g/mol, XLogP of 4.31, 7 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-[6-cyclopropyl-7-(difluoromethyl)-3,4-dihydro-2H-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)-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinoline-1,3-dione is sourced from PubChem (CID 164919388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).