(2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C56H59Cl2FN6O5 — CID 164592137

About (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 164592137) has the molecular formula C56H59Cl2FN6O5 and a molecular weight of 986.03 g/mol. Its IUPAC name is (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 164592137
• Molecular Formula: C56H59Cl2FN6O5
• Molecular Weight: 986.03 g/mol
• Exact Mass: 984.39
• IUPAC Name: (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: COc1cc(N2CCC3(CC2)CC(C#C[C@H]2C[C@H]2c2cccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
• InChI: InChI=1S/C56H59Cl2FN6O5/c1-54(2,3)28-46-56(30-60-43-24-33(57)13-15-40(43)56)48(37-9-6-10-41(58)49(37)59)50(62-46)52(68)61-42-16-14-34(25-45(42)70-4)64-21-19-55(20-22-64)26-31(27-55)11-12-32-23-38(32)35-7-5-8-36-39(35)29-65(53(36)69)44-17-18-47(66)63-51(44)67/h5-10,13-16,24-25,31-32,38,44,46,48,50,60,62H,17-23,26-30H2,1-4H3,(H,61,68)(H,63,66,67)/t32-,38+,44?,46-,48-,50+,56-/m0/s1
• InChIKey: NPLBYZJXVRCCFP-VNFRUFFZSA-N
• XLogP: 9.57
• TPSA: 132.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.03
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 164592137) is (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is COc1cc(N2CCC3(CC2)CC(C#C[C@H]2C[C@H]2c2cccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F.

What is the InChIKey of (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is NPLBYZJXVRCCFP-VNFRUFFZSA-N. The full InChI is InChI=1S/C56H59Cl2FN6O5/c1-54(2,3)28-46-56(30-60-43-24-33(57)13-15-40(43)56)48(37-9-6-10-41(58)49(37)59)50(62-46)52(68)61-42-16-14-34(25-45(42)70-4)64-21-19-55(20-22-64)26-31(27-55)11-12-32-23-38(32)35-7-5-8-36-39(35)29-65(53(36)69)44-17-18-47(66)63-51(44)67/h5-10,13-16,24-25,31-32,38,44,46,48,50,60,62H,17-23,26-30H2,1-4H3,(H,61,68)(H,63,66,67)/t32-,38+,44?,46-,48-,50+,56-/m0/s1.

What are the key properties of (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

(2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 986.03 g/mol, XLogP of 9.57, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3S,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[2-[2-[(1S,2R)-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropyl]ethynyl]-7-azaspiro[3.5]nonan-7-yl]-2-methoxyphenyl]spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 164592137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).