2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

C84H80Cl2F6N24O18 — CID 167561456

About 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 167561456) has the molecular formula C84H80Cl2F6N24O18 and a molecular weight of 1898.61 g/mol. Its IUPAC name is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

• Compound Name: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
• PubChem CID: 167561456
• Molecular Formula: C84H80Cl2F6N24O18
• Molecular Weight: 1898.61 g/mol
• Exact Mass: 1896.54
• IUPAC Name: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
• SMILES: C#CCn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)cc2F)c1=O.Cn1cc2cc(Nc3nc(=O)n(Cc4cn(CCOCCOCCOCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1.[N-]=[N+]=NCCOCCOCCOCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C42H40ClF3N12O9.C21H14ClF3N6O2.C21H26N6O7/c1-54-17-24-14-34(28(43)15-33(24)52-54)48-40-50-41(63)58(42(64)57(40)18-23-13-30(45)31(46)16-29(23)44)20-25-19-55(53-51-25)7-8-65-9-10-66-11-12-67-22-37(60)47-32-4-2-3-26-27(32)21-56(39(26)62)35-5-6-36(59)49-38(35)61;1-3-4-30-20(32)27-19(26-18-6-12-9-29(2)28-17(12)7-13(18)22)31(21(30)33)10-11-5-15(24)16(25)8-14(11)23;22-26-23-6-7-32-8-9-33-10-11-34-13-19(29)24-16-3-1-2-14-15(16)12-27(21(14)31)17-4-5-18(28)25-20(17)30/h2-4,13-17,19,35H,5-12,18,20-22H2,1H3,(H,47,60)(H,48,50,63)(H,49,59,61);1,5-9H,4,10H2,2H3,(H,26,27,32);1-3,17H,4-13H2,(H,24,29)(H,25,28,30)
• InChIKey: DSDLMNRPAOCDRA-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 499.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.61
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?

The IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione (CID 167561456) is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione.

What is the SMILES notation for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?

The canonical SMILES for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione is C#CCn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)cc2F)c1=O.Cn1cc2cc(Nc3nc(=O)n(Cc4cn(CCOCCOCCOCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1.[N-]=[N+]=NCCOCCOCCOCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?

The InChIKey is DSDLMNRPAOCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40ClF3N12O9.C21H14ClF3N6O2.C21H26N6O7/c1-54-17-24-14-34(28(43)15-33(24)52-54)48-40-50-41(63)58(42(64)57(40)18-23-13-30(45)31(46)16-29(23)44)20-25-19-55(53-51-25)7-8-65-9-10-66-11-12-67-22-37(60)47-32-4-2-3-26-27(32)21-56(39(26)62)35-5-6-36(59)49-38(35)61;1-3-4-30-20(32)27-19(26-18-6-12-9-29(2)28-17(12)7-13(18)22)31(21(30)33)10-11-5-15(24)16(25)8-14(11)23;22-26-23-6-7-32-8-9-33-10-11-34-13-19(29)24-16-3-1-2-14-15(16)12-27(21(14)31)17-4-5-18(28)25-20(17)30/h2-4,13-17,19,35H,5-12,18,20-22H2,1H3,(H,47,60)(H,48,50,63)(H,49,59,61);1,5-9H,4,10H2,2H3,(H,26,27,32);1-3,17H,4-13H2,(H,24,29)(H,25,28,30).

What are the key properties of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 1898.61 g/mol, XLogP of 5.78, 37 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;6-[(6-chloro-2-methylindazol-5-yl)amino]-3-prop-2-ynyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 167561456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).