deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol

C36H109FN6O65 — CID 159975645

About deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol

deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol (PubChem CID 159975645) has the molecular formula C36H109FN6O65 and a molecular weight of 1686.25 g/mol. Its IUPAC name is deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol.

Molecular Properties

• Compound Name: deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol
• PubChem CID: 159975645
• Molecular Formula: C36H109FN6O65
• Molecular Weight: 1686.25 g/mol
• Exact Mass: 1685.55
• IUPAC Name: deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol
• SMILES: CO.COCCOCCc1cn(CCOCCOCCOCCC(=O)CCCNC(=O)c2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)nn1.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.[H][2H]
• InChI: InChI=1S/C35H47FN6O8.CH4O.28H2O2.H2/c1-24-32(22-30-29-21-26(36)6-7-31(29)39-34(30)44)38-25(2)33(24)35(45)37-10-4-5-28(43)9-13-48-17-19-50-20-18-49-14-11-42-23-27(40-41-42)8-12-47-16-15-46-3;29*1-2;/h6-7,21-23,38H,4-5,8-20H2,1-3H3,(H,37,45)(H,39,44);2H,1H3;28*1-2H;1H/b30-22-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1
• InChIKey: OFCSRNRJWUBVSP-DCXIJXNESA-N
• XLogP: 3.62
• TPSA: 1321.03 Ų
• H-Bond Donors: 60
• H-Bond Acceptors: 68
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.25
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	60
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol?

The IUPAC name of deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol (CID 159975645) is deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol.

What is the SMILES notation for deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol?

The canonical SMILES for deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol is CO.COCCOCCc1cn(CCOCCOCCOCCC(=O)CCCNC(=O)c2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)nn1.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.OO.[H][2H].

What is the InChIKey of deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol?

The InChIKey is OFCSRNRJWUBVSP-DCXIJXNESA-N. The full InChI is InChI=1S/C35H47FN6O8.CH4O.28H2O2.H2/c1-24-32(22-30-29-21-26(36)6-7-31(29)39-34(30)44)38-25(2)33(24)35(45)37-10-4-5-28(43)9-13-48-17-19-50-20-18-49-14-11-42-23-27(40-41-42)8-12-47-16-15-46-3;29*1-2;/h6-7,21-23,38H,4-5,8-20H2,1-3H3,(H,37,45)(H,39,44);2H,1H3;28*1-2H;1H/b30-22-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1.

What are the key properties of deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol?

deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol has a molecular weight of 1686.25 g/mol, XLogP of 3.62, 24 rotatable bonds, 60 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[6-[2-[2-[2-[4-[2-(2-methoxyethoxy)ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-4-oxohexyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrogen peroxide;methanol is sourced from PubChem (CID 159975645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).