3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C51H63F2N5O6 — CID 154670615

About 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154670615) has the molecular formula C51H63F2N5O6 and a molecular weight of 880.09 g/mol. Its IUPAC name is 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 154670615
• Molecular Formula: C51H63F2N5O6
• Molecular Weight: 880.09 g/mol
• Exact Mass: 879.47
• IUPAC Name: 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CCC(F)(F)c1cc2c(-c3cc(OC)c(CN4CCC(CCCCC5CCC(CCc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(OC)c3)cn(C)c(=O)c2cn1
• InChI: InChI=1S/C51H63F2N5O6/c1-5-51(52,53)46-27-39-40(28-54-46)49(61)56(2)30-41(39)36-25-44(63-3)42(45(26-36)64-4)31-57-22-20-33(21-23-57)9-7-6-8-32-10-12-34(13-11-32)14-15-35-16-17-38-37(24-35)29-58(50(38)62)43-18-19-47(59)55-48(43)60/h16-17,24-28,30,32-34,43H,5-15,18-23,29,31H2,1-4H3,(H,55,59,60)
• InChIKey: OOCOOUNBNGOGDZ-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 123.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.09
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154670615) is 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCC(F)(F)c1cc2c(-c3cc(OC)c(CN4CCC(CCCCC5CCC(CCc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(OC)c3)cn(C)c(=O)c2cn1.

What is the InChIKey of 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is OOCOOUNBNGOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63F2N5O6/c1-5-51(52,53)46-27-39-40(28-54-46)49(61)56(2)30-41(39)36-25-44(63-3)42(45(26-36)64-4)31-57-22-20-33(21-23-57)9-7-6-8-32-10-12-34(13-11-32)14-15-35-16-17-38-37(24-35)29-58(50(38)62)43-18-19-47(59)55-48(43)60/h16-17,24-28,30,32-34,43H,5-15,18-23,29,31H2,1-4H3,(H,55,59,60).

What are the key properties of 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 880.09 g/mol, XLogP of 9.09, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[4-[4-[1-[[4-[6-(1,1-difluoropropyl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]butyl]cyclohexyl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154670615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).