tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate

C33H47N5O7 — CID 154671677

About tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate

tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate (PubChem CID 154671677) has the molecular formula C33H47N5O7 and a molecular weight of 625.77 g/mol. Its IUPAC name is tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
• PubChem CID: 154671677
• Molecular Formula: C33H47N5O7
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.35
• IUPAC Name: tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC5(CC4)CN(C(=O)OC(C)(C)C)CCO5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C33H47N5O7/c1-32(2,3)45-31(41)38-14-15-44-33(21-38)9-12-36(13-10-33)19-26-27(42-6)16-22(17-28(26)43-7)24-18-35(5)29(39)25-20-37(30(40)34-4)11-8-23(24)25/h16-18H,8-15,19-21H2,1-7H3,(H,34,40)
• InChIKey: MJWBBUMMJXSSGE-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 114.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?

The IUPAC name of tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate (CID 154671677) is tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate.

What is the SMILES notation for tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?

The canonical SMILES for tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC5(CC4)CN(C(=O)OC(C)(C)C)CCO5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?

The InChIKey is MJWBBUMMJXSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N5O7/c1-32(2,3)45-31(41)38-14-15-44-33(21-38)9-12-36(13-10-33)19-26-27(42-6)16-22(17-28(26)43-7)24-18-35(5)29(39)25-20-37(30(40)34-4)11-8-23(24)25/h16-18H,8-15,19-21H2,1-7H3,(H,34,40).

What are the key properties of tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?

tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate has a molecular weight of 625.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate is sourced from PubChem (CID 154671677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).