N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol

C₉₈H₈₃N₁₁O₁₀ — CID 158269961

About N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol

N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol (PubChem CID 158269961) has the molecular formula C₉₈H₈₃N₁₁O₁₀ and a molecular weight of 1574.81 g/mol. Its IUPAC name is N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol.

Molecular Properties

• Compound Name: N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol
• PubChem CID: 158269961
• Molecular Formula: C₉₈H₈₃N₁₁O₁₀
• Molecular Weight: 1574.81 g/mol
• Exact Mass: 1573.63
• IUPAC Name: N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol
• SMILES: CCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.O=C(O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1
• InChI: InChI=1S/C23H25N3O.C20H16N2O3.C19H16N2O.C18H12N2O3.C18H14N2O2/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18;1-24-20(23)18-12-11-17(25-18)19-15-9-5-6-10-16(15)22(21-19)13-14-7-3-2-4-8-14;1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15;21-18(22)16-11-10-15(23-16)17-13-8-4-5-9-14(13)20(19-17)12-6-2-1-3-7-12;21-12-14-10-11-17(22-14)18-15-8-4-5-9-16(15)20(19-18)13-6-2-1-3-7-13/h5-15H,3-4,16-17H2,1-2H3;2-12H,13H2,1H3;2-12H,13H2,1H3;1-11H,(H,21,22);1-11,21H,12H2
• InChIKey: GIXGDUZUMOGGQK-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 241.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.81
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol?

The IUPAC name of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol (CID 158269961) is N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol.

What is the SMILES notation for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol?

The canonical SMILES for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol is CCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.O=C(O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1.

What is the InChIKey of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol?

The InChIKey is GIXGDUZUMOGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.C20H16N2O3.C19H16N2O.C18H12N2O3.C18H14N2O2/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18;1-24-20(23)18-12-11-17(25-18)19-15-9-5-6-10-16(15)22(21-19)13-14-7-3-2-4-8-14;1-14-11-12-18(22-14)19-16-9-5-6-10-17(16)21(20-19)13-15-7-3-2-4-8-15;21-18(22)16-11-10-15(23-16)17-13-8-4-5-9-14(13)20(19-17)12-6-2-1-3-7-12;21-12-14-10-11-17(22-14)18-15-8-4-5-9-16(15)20(19-18)13-6-2-1-3-7-13/h5-15H,3-4,16-17H2,1-2H3;2-12H,13H2,1H3;2-12H,13H2,1H3;1-11H,(H,21,22);1-11,21H,12H2.

What are the key properties of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol?

N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol has a molecular weight of 1574.81 g/mol, XLogP of 21.73, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 158269961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158269961 — identifiers, structure, computed properties (public domain)

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