2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide

C44H51ClN10O6 — CID 178117705

About 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide

2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 178117705) has the molecular formula C44H51ClN10O6 and a molecular weight of 851.41 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 178117705
• Molecular Formula: C44H51ClN10O6
• Molecular Weight: 851.41 g/mol
• Exact Mass: 850.37
• IUPAC Name: 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(CC5)COc5cc7c(C8CCC(=O)NC8=O)nn(C)c7cc56)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C44H51ClN10O6/c1-25(2)55-33-7-5-28(17-27(33)18-36(42(55)59)60-23-38(57)46-3)48-40-32(45)21-47-43(50-40)54-13-9-26(10-14-54)22-53-15-11-44(12-16-53)24-61-35-19-30-34(20-31(35)44)52(4)51-39(30)29-6-8-37(56)49-41(29)58/h5,7,17-21,25-26,29H,6,8-16,22-24H2,1-4H3,(H,46,57)(H,47,48,50)(H,49,56,58)
• InChIKey: LRLJGQNWZSRPJQ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 177.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.41
LogP ≤ 5	4.94
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-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide (CID 178117705) is 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The canonical SMILES for 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(CC5)COc5cc7c(C8CCC(=O)NC8=O)nn(C)c7cc56)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The InChIKey is LRLJGQNWZSRPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H51ClN10O6/c1-25(2)55-33-7-5-28(17-27(33)18-36(42(55)59)60-23-38(57)46-3)48-40-32(45)21-47-43(50-40)54-13-9-26(10-14-54)22-53-15-11-44(12-16-53)24-61-35-19-30-34(20-31(35)44)52(4)51-39(30)29-6-8-37(56)49-41(29)58/h5,7,17-21,25-26,29H,6,8-16,22-24H2,1-4H3,(H,46,57)(H,47,48,50)(H,49,56,58).

What are the key properties of 2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

2-[6-[[5-chloro-2-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 851.41 g/mol, XLogP of 4.94, 10 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-[4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylspiro[6H-furo[2,3-f]indazole-7,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 178117705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).