N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C56H63FN8O16S — CID 155229063

About N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 155229063) has the molecular formula C56H63FN8O16S and a molecular weight of 1155.22 g/mol. Its IUPAC name is N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 155229063
• Molecular Formula: C56H63FN8O16S
• Molecular Weight: 1155.22 g/mol
• Exact Mass: 1154.41
• IUPAC Name: N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• SMILES: Nc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCONc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)cc2F)cc1-c1ccc2c(c1)CCNC2=O
• InChI: InChI=1S/C56H63FN8O16S/c57-46-34-41(8-10-42(46)38-32-45(52(58)60-35-38)36-7-9-43-37(31-36)13-15-59-53(43)68)82(72,73)64-40-4-1-3-39(33-40)61-50(67)14-16-74-17-18-75-19-20-76-21-22-77-23-24-78-25-26-79-27-28-80-29-30-81-63-47-6-2-5-44-51(47)56(71)65(55(44)70)48-11-12-49(66)62-54(48)69/h1-10,31-35,48,63-64H,11-30H2,(H2,58,60)(H,59,68)(H,61,67)(H,62,66,69)
• InChIKey: RVULZMUSZPZGPS-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 312.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1155.22
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 155229063) is N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is Nc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCONc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)cc2F)cc1-c1ccc2c(c1)CCNC2=O.

What is the InChIKey of N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The InChIKey is RVULZMUSZPZGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63FN8O16S/c57-46-34-41(8-10-42(46)38-32-45(52(58)60-35-38)36-7-9-43-37(31-36)13-15-59-53(43)68)82(72,73)64-40-4-1-3-39(33-40)61-50(67)14-16-74-17-18-75-19-20-76-21-22-77-23-24-78-25-26-79-27-28-80-29-30-81-63-47-6-2-5-44-51(47)56(71)65(55(44)70)48-11-12-49(66)62-54(48)69/h1-10,31-35,48,63-64H,11-30H2,(H2,58,60)(H,59,68)(H,61,67)(H,62,66,69).

What are the key properties of N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 1155.22 g/mol, XLogP of 4.11, 33 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-3-fluorophenyl]sulfonylamino]phenyl]-3-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 155229063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).