3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione

C50H61N7O6 — CID 154670168

About 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione

3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione (PubChem CID 154670168) has the molecular formula C50H61N7O6 and a molecular weight of 856.08 g/mol. Its IUPAC name is 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione
• PubChem CID: 154670168
• Molecular Formula: C50H61N7O6
• Molecular Weight: 856.08 g/mol
• Exact Mass: 855.47
• IUPAC Name: 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione
• SMILES: C=C1c2cnc(N3CCOCC3)cc2C(c2cc(OC)c(CN3CC(CN4CCC5(CC4)CN(c4ccc6c(c4)C(=O)CC(CC4CCC(=O)NC4=O)C6)C5)C3)cc2OC)=CN1C
• InChI: InChI=1S/C50H61N7O6/c1-32-42-24-51-47(56-13-15-63-16-14-56)23-40(42)43(29-53(32)2)41-22-45(61-3)37(20-46(41)62-4)28-55-26-34(27-55)25-54-11-9-50(10-12-54)30-57(31-50)38-7-5-35-17-33(19-44(58)39(35)21-38)18-36-6-8-48(59)52-49(36)60/h5,7,20-24,29,33-34,36H,1,6,8-19,25-28,30-31H2,2-4H3,(H,52,59,60)
• InChIKey: XLUZUURQLBPSMS-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 120.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.08
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione (CID 154670168) is 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione is C=C1c2cnc(N3CCOCC3)cc2C(c2cc(OC)c(CN3CC(CN4CCC5(CC4)CN(c4ccc6c(c4)C(=O)CC(CC4CCC(=O)NC4=O)C6)C5)C3)cc2OC)=CN1C.

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

The InChIKey is XLUZUURQLBPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H61N7O6/c1-32-42-24-51-47(56-13-15-63-16-14-56)23-40(42)43(29-53(32)2)41-22-45(61-3)37(20-46(41)62-4)28-55-26-34(27-55)25-54-11-9-50(10-12-54)30-57(31-50)38-7-5-35-17-33(19-44(58)39(35)21-38)18-36-6-8-48(59)52-49(36)60/h5,7,20-24,29,33-34,36H,1,6,8-19,25-28,30-31H2,2-4H3,(H,52,59,60).

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

3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione has a molecular weight of 856.08 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[7-[[1-[[2,5-dimethoxy-4-(2-methyl-1-methylidene-6-morpholin-4-yl-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 154670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).