4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole

C98H84N10O9S — CID 158563173

About 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole

4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole (PubChem CID 158563173) has the molecular formula C98H84N10O9S and a molecular weight of 1577.88 g/mol. Its IUPAC name is 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole.

Molecular Properties

• Compound Name: 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole
• PubChem CID: 158563173
• Molecular Formula: C98H84N10O9S
• Molecular Weight: 1577.88 g/mol
• Exact Mass: 1576.61
• IUPAC Name: 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole
• SMILES: CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2n[nH]c3ccccc23)cc1.Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.O=C(O)CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1
• InChI: InChI=1S/C23H20N2O5.C23H20N2O2.C21H18N2.C17H14N2O2S.C14H12N2/c26-21(27)12-13-22(28)29-15-17-10-11-20(30-17)23-18-8-4-5-9-19(18)25(24-23)14-16-6-2-1-3-7-16;1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17;1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)23(22-21)15-17-7-3-2-4-8-17;20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12;1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15-16-14/h1-11H,12-15H2,(H,26,27);3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-9,20H,10-11H2;2-9H,1H3,(H,15,16)
• InChIKey: HRDIMWPAWPFTMC-UHFFFAOYSA-N
• XLogP: 21.68
• TPSA: 236.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.88
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole?

The IUPAC name of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole (CID 158563173) is 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole.

What is the SMILES notation for 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole?

The canonical SMILES for 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole is CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2n[nH]c3ccccc23)cc1.Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.O=C(O)CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1.

What is the InChIKey of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole?

The InChIKey is HRDIMWPAWPFTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5.C23H20N2O2.C21H18N2.C17H14N2O2S.C14H12N2/c26-21(27)12-13-22(28)29-15-17-10-11-20(30-17)23-18-8-4-5-9-19(18)25(24-23)14-16-6-2-1-3-7-16;1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17;1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)23(22-21)15-17-7-3-2-4-8-17;20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12;1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15-16-14/h1-11H,12-15H2,(H,26,27);3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-9,20H,10-11H2;2-9H,1H3,(H,15,16).

What are the key properties of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole?

4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole has a molecular weight of 1577.88 g/mol, XLogP of 21.68, 21 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-benzyl-3-(4-methylphenyl)indazole;[5-(1-benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1H-indazole is sourced from PubChem (CID 158563173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).