3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C41H49N7O6 — CID 154671957

About 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154671957) has the molecular formula C41H49N7O6 and a molecular weight of 735.89 g/mol. Its IUPAC name is 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 154671957
• Molecular Formula: C41H49N7O6
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.37
• IUPAC Name: 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2NCC3)cc(OC)c1CN1CC(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)C1
• InChI: InChI=1S/C41H49N7O6/c1-44-21-31(37-29(39(44)51)8-11-42-37)27-14-34(53-2)32(35(15-27)54-3)22-46-18-25(19-46)17-45-12-9-41(10-13-45)23-47(24-41)28-5-4-26-20-48(40(52)30(26)16-28)33-6-7-36(49)43-38(33)50/h4-5,14-16,21,25,33,42H,6-13,17-20,22-24H2,1-3H3,(H,43,49,50)
• InChIKey: ISAOQZGFXZWNJC-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 128.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154671957) is 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3c2NCC3)cc(OC)c1CN1CC(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)C1.

What is the InChIKey of 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ISAOQZGFXZWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O6/c1-44-21-31(37-29(39(44)51)8-11-42-37)27-14-34(53-2)32(35(15-27)54-3)22-46-18-25(19-46)17-45-12-9-41(10-13-45)23-47(24-41)28-5-4-26-20-48(40(52)30(26)16-28)33-6-7-36(49)43-38(33)50/h4-5,14-16,21,25,33,42H,6-13,17-20,22-24H2,1-3H3,(H,43,49,50).

What are the key properties of 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 735.89 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[7-[[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154671957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).