[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate

C66H53FN8O11 — CID 161310889

About [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate

[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate (PubChem CID 161310889) has the molecular formula C66H53FN8O11 and a molecular weight of 1153.19 g/mol. Its IUPAC name is [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate.

Molecular Properties

• Compound Name: [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
• PubChem CID: 161310889
• Molecular Formula: C66H53FN8O11
• Molecular Weight: 1153.19 g/mol
• Exact Mass: 1152.38
• IUPAC Name: [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
• SMILES: COC(=O)c1ccc(-c2n[nH]c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)ccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2n[nH]c3ccccc23)o1
• InChI: InChI=1S/C21H18N2O3.C20H15FN2O3.C13H10N2O3.C12H10N2O2/c1-14-8-9-16-17(12-14)23(13-15-6-4-3-5-7-15)22-20(16)18-10-11-19(26-18)21(24)25-2;1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13;1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12;15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h3-12H,13H2,1-2H3;2-11H,12H2,1H3;2-7H,1H3,(H,14,15);1-6,15H,7H2,(H,13,14)
• InChIKey: VIWJVCMTEFMMIY-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 244.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.19
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?

The IUPAC name of [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate (CID 161310889) is [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate.

What is the SMILES notation for [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?

The canonical SMILES for [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2n[nH]c3ccccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)ccc23)o1.COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2n[nH]c3ccccc23)o1.

What is the InChIKey of [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?

The InChIKey is VIWJVCMTEFMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3.C20H15FN2O3.C13H10N2O3.C12H10N2O2/c1-14-8-9-16-17(12-14)23(13-15-6-4-3-5-7-15)22-20(16)18-10-11-19(26-18)21(24)25-2;1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13;1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12;15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h3-12H,13H2,1-2H3;2-11H,12H2,1H3;2-7H,1H3,(H,14,15);1-6,15H,7H2,(H,13,14).

What are the key properties of [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate?

[5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate has a molecular weight of 1153.19 g/mol, XLogP of 13.63, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1H-indazol-3-yl)furan-2-yl]methanol;methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate;methyl 5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 161310889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).