5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C56H63N11O6 — CID 170929242

About 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170929242) has the molecular formula C56H63N11O6 and a molecular weight of 986.19 g/mol. Its IUPAC name is 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170929242
• Molecular Formula: C56H63N11O6
• Molecular Weight: 986.19 g/mol
• Exact Mass: 985.50
• IUPAC Name: 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1c(-c2cc(Nc3ccc(N4CCN([C@@H]5CCC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C[C@@H]4C)cn3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O
• InChI: InChI=1S/C56H63N11O6/c1-33-31-63(38-12-14-56(28-38)15-18-62(19-16-56)37-6-8-41-42(26-37)52(71)67(51(41)70)44-9-11-48(68)60-50(44)69)20-21-64(33)39-7-10-47(58-30-39)59-43-24-36(32-61(5)53(43)72)40-13-17-57-49(34(40)2)66-23-22-65-45(54(66)73)25-35-27-55(3,4)29-46(35)65/h6-8,10,13,17,24-26,30,32-33,38,44H,9,11-12,14-16,18-23,27-29,31H2,1-5H3,(H,58,59)(H,60,68,69)/t33-,38+,44?/m0/s1
• InChIKey: HALKELPGOOTJEI-VHKCRQAUSA-N
• XLogP: 6.23
• TPSA: 178.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.19
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170929242) is 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1c(-c2cc(Nc3ccc(N4CCN([C@@H]5CCC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C[C@@H]4C)cn3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.

What is the InChIKey of 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is HALKELPGOOTJEI-VHKCRQAUSA-N. The full InChI is InChI=1S/C56H63N11O6/c1-33-31-63(38-12-14-56(28-38)15-18-62(19-16-56)37-6-8-41-42(26-37)52(71)67(51(41)70)44-9-11-48(68)60-50(44)69)20-21-64(33)39-7-10-47(58-30-39)59-43-24-36(32-61(5)53(43)72)40-13-17-57-49(34(40)2)66-23-22-65-45(54(66)73)25-35-27-55(3,4)29-46(35)65/h6-8,10,13,17,24-26,30,32-33,38,44H,9,11-12,14-16,18-23,27-29,31H2,1-5H3,(H,58,59)(H,60,68,69)/t33-,38+,44?/m0/s1.

What are the key properties of 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 986.19 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-methyl-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]amino]-3-pyridinyl]-3-methylpiperazin-1-yl]-8-azaspiro[4.5]decan-8-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170929242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).