sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide

C108H114Cl5CuFIN31NaO16 — CID 158922657

About sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide

sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide (PubChem CID 158922657) has the molecular formula C108H114Cl5CuFIN31NaO16 and a molecular weight of 2513.01 g/mol. Its IUPAC name is sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide.

Molecular Properties

• Compound Name: sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide
• PubChem CID: 158922657
• Molecular Formula: C108H114Cl5CuFIN31NaO16
• Molecular Weight: 2513.01 g/mol
• Exact Mass: 2508.58
• IUPAC Name: sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide
• SMILES: C.C#CCO.CCOC(=O)c1cnc2c(c(C)nn2Cc2cn(Cc3ccc(OC)cc3)nn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.COc1ccc(CCl)cc1.COc1ccc(CN=[N+]=[N-])cc1.COc1ccc(Cn2cc(CO)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)O)cnc43)nn2)cc1.[2H]CF.[Cu]I.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C26H24ClN7O3.C21H21ClN6O3.C19H17ClN6O3.C11H13N3O2.C10H10ClN3O2.C8H9ClO.C8H9N3O.C3H4O.CH3F.CH4.Cu.HI.N3.Na/c1-16-23-24(27)22(26(35)29-18-6-10-21(37-3)11-7-18)12-28-25(23)34(31-16)15-19-14-33(32-30-19)13-17-4-8-20(36-2)9-5-17;1-4-31-21(29)17-9-23-20-18(19(17)22)13(2)25-28(20)12-15-11-27(26-24-15)10-14-5-7-16(30-3)8-6-14;1-11-16-17(20)15(19(27)28)7-21-18(16)26(23-11)10-13-9-25(24-22-13)8-12-3-5-14(29-2)6-4-12;1-16-11-4-2-9(3-5-11)6-14-7-10(8-15)12-13-14;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-10-8-4-2-7(6-9)3-5-8;1-12-8-4-2-7(3-5-8)6-10-11-9;1-2-3-4;1-2;;;;1-3-2;/h4-12,14H,13,15H2,1-3H3,(H,29,35);5-9,11H,4,10,12H2,1-3H3;3-7,9H,8,10H2,1-2H3,(H,27,28);2-5,7,15H,6,8H2,1H3;4H,3H2,1-2H3,(H,12,13,14);2-5H,6H2,1H3;2-5H,6H2,1H3;1,4H,3H2;1H3;1H4;;1H;;/q;;;;;;;;;;+1;;-1;+1/p-1/i;;;;;;;;1D
• InChIKey: QFKNFDBLRXHUGP-AUGUZFSVSA-M
• XLogP: 17.86
• TPSA: 588.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.01
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide?

The IUPAC name of sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide (CID 158922657) is sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide.

What is the SMILES notation for sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide?

The canonical SMILES for sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide is C.C#CCO.CCOC(=O)c1cnc2c(c(C)nn2Cc2cn(Cc3ccc(OC)cc3)nn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.COc1ccc(CCl)cc1.COc1ccc(CN=[N+]=[N-])cc1.COc1ccc(Cn2cc(CO)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)O)cnc43)nn2)cc1.[2H]CF.[Cu]I.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide?

The InChIKey is QFKNFDBLRXHUGP-AUGUZFSVSA-M. The full InChI is InChI=1S/C26H24ClN7O3.C21H21ClN6O3.C19H17ClN6O3.C11H13N3O2.C10H10ClN3O2.C8H9ClO.C8H9N3O.C3H4O.CH3F.CH4.Cu.HI.N3.Na/c1-16-23-24(27)22(26(35)29-18-6-10-21(37-3)11-7-18)12-28-25(23)34(31-16)15-19-14-33(32-30-19)13-17-4-8-20(36-2)9-5-17;1-4-31-21(29)17-9-23-20-18(19(17)22)13(2)25-28(20)12-15-11-27(26-24-15)10-14-5-7-16(30-3)8-6-14;1-11-16-17(20)15(19(27)28)7-21-18(16)26(23-11)10-13-9-25(24-22-13)8-12-3-5-14(29-2)6-4-12;1-16-11-4-2-9(3-5-11)6-14-7-10(8-15)12-13-14;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-10-8-4-2-7(6-9)3-5-8;1-12-8-4-2-7(3-5-8)6-10-11-9;1-2-3-4;1-2;;;;1-3-2;/h4-12,14H,13,15H2,1-3H3,(H,29,35);5-9,11H,4,10,12H2,1-3H3;3-7,9H,8,10H2,1-2H3,(H,27,28);2-5,7,15H,6,8H2,1H3;4H,3H2,1-2H3,(H,12,13,14);2-5H,6H2,1H3;2-5H,6H2,1H3;1,4H,3H2;1H3;1H4;;1H;;/q;;;;;;;;;;+1;;-1;+1/p-1/i;;;;;;;;1D;;;;;.

What are the key properties of sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide?

sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide has a molecular weight of 2513.01 g/mol, XLogP of 17.86, 32 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(azidomethyl)-4-methoxybenzene;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-(chloromethyl)-4-methoxybenzene;deuterio(fluoro)methane;ethyl 4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;iodocopper;methane;[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol;prop-2-yn-1-ol;azide is sourced from PubChem (CID 158922657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).