2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide

C37H39ClN10O6 — CID 170629434

About 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide

2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (PubChem CID 170629434) has the molecular formula C37H39ClN10O6 and a molecular weight of 755.24 g/mol. Its IUPAC name is 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide
• PubChem CID: 170629434
• Molecular Formula: C37H39ClN10O6
• Molecular Weight: 755.24 g/mol
• Exact Mass: 754.27
• IUPAC Name: 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CC5(CCC(Oc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)C4)ncc3Cl)cnc2n(C)c1=O
• InChI: InChI=1S/C37H39ClN10O6/c1-39-29(50)17-53-27-14-20-13-21(15-40-33(20)46(2)35(27)52)42-32-25(38)16-41-36(44-32)48-18-37(19-48)11-9-22(10-12-37)54-26-6-4-5-23-30(45-47(3)31(23)26)24-7-8-28(49)43-34(24)51/h4-6,13-16,22,24H,7-12,17-19H2,1-3H3,(H,39,50)(H,41,42,44)(H,43,49,51)
• InChIKey: KWZURDUQKUNOJU-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 187.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.24
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The IUPAC name of 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (CID 170629434) is 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide.

What is the SMILES notation for 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The canonical SMILES for 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CC5(CCC(Oc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)C4)ncc3Cl)cnc2n(C)c1=O.

What is the InChIKey of 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The InChIKey is KWZURDUQKUNOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39ClN10O6/c1-39-29(50)17-53-27-14-20-13-21(15-40-33(20)46(2)35(27)52)42-32-25(38)16-41-36(44-32)48-18-37(19-48)11-9-22(10-12-37)54-26-6-4-5-23-30(45-47(3)31(23)26)24-7-8-28(49)43-34(24)51/h4-6,13-16,22,24H,7-12,17-19H2,1-3H3,(H,39,50)(H,41,42,44)(H,43,49,51).

What are the key properties of 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide has a molecular weight of 755.24 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[5-chloro-2-[7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]oxy-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 170629434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).