[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate

C47H54N8O11 — CID 155026801

About [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate

[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate (PubChem CID 155026801) has the molecular formula C47H54N8O11 and a molecular weight of 906.99 g/mol. Its IUPAC name is [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate.

Molecular Properties

• Compound Name: [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate
• PubChem CID: 155026801
• Molecular Formula: C47H54N8O11
• Molecular Weight: 906.99 g/mol
• Exact Mass: 906.39
• IUPAC Name: [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(OC=O)C(=O)NCCCCN1CCOC2(CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1
• InChI: InChI=1S/C47H54N8O11/c1-51-25-35(31-11-15-48-24-34(31)43(51)60)29-21-38(63-3)36(39(22-29)64-4)26-52(2)46(65-28-56)42(59)49-14-5-6-16-53-19-20-66-47(27-53)12-17-54(18-13-47)30-7-8-32-33(23-30)45(62)55(44(32)61)37-9-10-40(57)50-41(37)58/h7-8,11,15,21-25,28,37,46H,5-6,9-10,12-14,16-20,26-27H2,1-4H3,(H,49,59)(H,50,57,58)
• InChIKey: DQQVHBHJMWRTLQ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 211.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.99
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate?

The IUPAC name of [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate (CID 155026801) is [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate.

What is the SMILES notation for [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate?

The canonical SMILES for [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C(OC=O)C(=O)NCCCCN1CCOC2(CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1.

What is the InChIKey of [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate?

The InChIKey is DQQVHBHJMWRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N8O11/c1-51-25-35(31-11-15-48-24-34(31)43(51)60)29-21-38(63-3)36(39(22-29)64-4)26-52(2)46(65-28-56)42(59)49-14-5-6-16-53-19-20-66-47(27-53)12-17-54(18-13-47)30-7-8-32-33(23-30)45(62)55(44(32)61)37-9-10-40(57)50-41(37)58/h7-8,11,15,21-25,28,37,46H,5-6,9-10,12-14,16-20,26-27H2,1-4H3,(H,49,59)(H,50,57,58).

What are the key properties of [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate?

[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate has a molecular weight of 906.99 g/mol, XLogP of 2.22, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-2-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]butylamino]-2-oxoethyl] formate is sourced from PubChem (CID 155026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).