N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide

C44H49N7O8 — CID 154672035

IUPACN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCN1CC2(CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1
InChIInChI=1S/C44H49N7O8/c1-47(24-34-36(58-3)19-27(20-37(34)59-4)33-23-48(2)41(55)32-22-45-15-12-29(32)33)39(53)7-5-6-16-49-25-44(26-49)13-17-50(18-14-44)28-8-9-30-31(21-28)43(57)51(42(30)56)35-10-11-38(52)46-40(35)54/h8-9,12,15,19-23,35H,5-7,10-11,13-14,16-18,24-26H2,1-4H3,(H,46,52,54)
InChIKeyGLVYXRBCXICODY-UHFFFAOYSA-N
MW803.92 g/mol
LogP3.75
Rot. Bonds12

About N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide

N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide (PubChem CID 154672035) has the molecular formula C44H49N7O8 and a molecular weight of 803.92 g/mol. Its IUPAC name is N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide
PubChem CID154672035
Molecular FormulaC44H49N7O8
Molecular Weight803.92 g/mol
Exact Mass803.36
IUPAC NameN-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCN1CC2(CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1
InChIInChI=1S/C44H49N7O8/c1-47(24-34-36(58-3)19-27(20-37(34)59-4)33-23-48(2)41(55)32-22-45-15-12-29(32)33)39(53)7-5-6-16-49-25-44(26-49)13-17-50(18-14-44)28-8-9-30-31(21-28)43(57)51(42(30)56)35-10-11-38(52)46-40(35)54/h8-9,12,15,19-23,35H,5-7,10-11,13-14,16-18,24-26H2,1-4H3,(H,46,52,54)
InChIKeyGLVYXRBCXICODY-UHFFFAOYSA-N
XLogP3.75
TPSA163.69 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide?
The IUPAC name of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide (CID 154672035) is N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide.
What is the SMILES notation for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide?
The canonical SMILES for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(=O)CCCCN1CC2(CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.
What is the InChIKey of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide?
The InChIKey is GLVYXRBCXICODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N7O8/c1-47(24-34-36(58-3)19-27(20-37(34)59-4)33-23-48(2)41(55)32-22-45-15-12-29(32)33)39(53)7-5-6-16-49-25-44(26-49)13-17-50(18-14-44)28-8-9-30-31(21-28)43(57)51(42(30)56)35-10-11-38(52)46-40(35)54/h8-9,12,15,19-23,35H,5-7,10-11,13-14,16-18,24-26H2,1-4H3,(H,46,52,54).
What are the key properties of N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide?
N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide has a molecular weight of 803.92 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-5-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-methylpentanamide is sourced from PubChem (CID 154672035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).