[5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole

C79H67FN8O11 — CID 158381342

About [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole

[5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole (PubChem CID 158381342) has the molecular formula C79H67FN8O11 and a molecular weight of 1323.45 g/mol. Its IUPAC name is [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole.

Molecular Properties

• Compound Name: [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole
• PubChem CID: 158381342
• Molecular Formula: C79H67FN8O11
• Molecular Weight: 1323.45 g/mol
• Exact Mass: 1322.49
• IUPAC Name: [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole
• SMILES: COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1
• InChI: InChI=1S/C20H16N2O4.C20H18N2O3.C20H18N2O2.C19H15FN2O2/c23-11-14-6-7-17(26-14)20-15-8-18-19(25-12-24-18)9-16(15)22(21-20)10-13-4-2-1-3-5-13;1-24-15-7-9-17-18(11-15)22(12-14-5-3-2-4-6-14)21-20(17)19-10-8-16(13-23)25-19;1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15;20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18/h1-9,23H,10-12H2;2-11,23H,12-13H2,1H3;2-12H,13-14H2,1H3;1-10,23H,11-12H2
• InChIKey: GVVDCJODGGTFNN-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 221.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.45
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?

The IUPAC name of [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole (CID 158381342) is [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole.

What is the SMILES notation for [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?

The canonical SMILES for [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole is COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.COc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.OCc1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1.

What is the InChIKey of [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?

The InChIKey is GVVDCJODGGTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4.C20H18N2O3.C20H18N2O2.C19H15FN2O2/c23-11-14-6-7-17(26-14)20-15-8-18-19(25-12-24-18)9-16(15)22(21-20)10-13-4-2-1-3-5-13;1-24-15-7-9-17-18(11-15)22(12-14-5-3-2-4-6-14)21-20(17)19-10-8-16(13-23)25-19;1-23-14-16-11-12-19(24-16)20-17-9-5-6-10-18(17)22(21-20)13-15-7-3-2-4-8-15;20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18/h1-9,23H,10-12H2;2-11,23H,12-13H2,1H3;2-12H,13-14H2,1H3;1-10,23H,11-12H2.

What are the key properties of [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole?

[5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole has a molecular weight of 1323.45 g/mol, XLogP of 15.88, 18 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-[5-(methoxymethyl)furan-2-yl]indazole is sourced from PubChem (CID 158381342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).