4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

C87H75N9O8 — CID 157169359

About 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (PubChem CID 157169359) has the molecular formula C87H75N9O8 and a molecular weight of 1374.61 g/mol. Its IUPAC name is 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.

Molecular Properties

• Compound Name: 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
• PubChem CID: 157169359
• Molecular Formula: C87H75N9O8
• Molecular Weight: 1374.61 g/mol
• Exact Mass: 1373.57
• IUPAC Name: 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
• SMILES: COc1ccc(Cn2nc(-c3ccc(C)cc3)c3ccccc32)cc1.Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.Cc1ccc(Cn2nc(-c3ccc(C)cc3)c3ccccc32)cc1.O=C(O)CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
• InChI: InChI=1S/C23H20N2O5.C22H20N2O.C22H20N2.C20H15N3O2/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;1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)24(23-22)15-17-9-13-19(25-2)14-10-17;1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)22(23-24)19-13-9-17(2)10-14-19;1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25/h1-11H,12-15H2,(H,26,27);3-14H,15H2,1-2H3;3-14H,15H2,1-2H3;2-13H,1H3
• InChIKey: ANGVLSCCGFYRDC-UHFFFAOYSA-N
• XLogP: 19.60
• TPSA: 200.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.61
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?

The IUPAC name of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (CID 157169359) is 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.

What is the SMILES notation for 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?

The canonical SMILES for 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is COc1ccc(Cn2nc(-c3ccc(C)cc3)c3ccccc32)cc1.Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.Cc1ccc(Cn2nc(-c3ccc(C)cc3)c3ccccc32)cc1.O=C(O)CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.

What is the InChIKey of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?

The InChIKey is ANGVLSCCGFYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5.C22H20N2O.C22H20N2.C20H15N3O2/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;1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)24(23-22)15-17-9-13-19(25-2)14-10-17;1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)22(23-24)19-13-9-17(2)10-14-19;1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25/h1-11H,12-15H2,(H,26,27);3-14H,15H2,1-2H3;3-14H,15H2,1-2H3;2-13H,1H3.

What are the key properties of 4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?

4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole has a molecular weight of 1374.61 g/mol, XLogP of 19.60, 18 rotatable bonds, 1 hydrogen bond donors, and 15 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-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is sourced from PubChem (CID 157169359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).