N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C81H60F4N12O13S — CID 158927133

About N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 158927133) has the molecular formula C81H60F4N12O13S and a molecular weight of 1517.50 g/mol. Its IUPAC name is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 158927133
• Molecular Formula: C81H60F4N12O13S
• Molecular Weight: 1517.50 g/mol
• Exact Mass: 1516.41
• IUPAC Name: N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: CC(=O)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)c1ccco1
• InChI: InChI=1S/C22H16FN3O3S.C21H14FN3O4.C20H16FN3O3.C18H14FN3O3/c23-16-11-18-15(10-19(16)24-22(27)9-14-2-1-7-30-14)17(25-26-18)5-3-13-4-6-20-21(8-13)29-12-28-20;22-14-10-16-13(9-17(14)23-21(26)19-2-1-7-27-19)15(24-25-16)5-3-12-4-6-18-20(8-12)29-11-28-18;21-14-9-16-13(8-17(14)22-20(25)12-3-4-12)15(23-24-16)5-1-11-2-6-18-19(7-11)27-10-26-18;1-10(23)20-16-7-12-14(21-22-15(12)8-13(16)19)4-2-11-3-5-17-18(6-11)25-9-24-17/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26);1-10H,11H2,(H,23,26)(H,24,25);1-2,5-9,12H,3-4,10H2,(H,22,25)(H,23,24);2-8H,9H2,1H3,(H,20,23)(H,21,22)/b2*5-3+;5-1+;4-2+
• InChIKey: JIOYJYYMRAUMTJ-AJQWHOAISA-N
• XLogP: 16.80
• TPSA: 318.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1517.50
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 158927133) is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is CC(=O)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)C1CC1.O=C(Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F)c1ccco1.

What is the InChIKey of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is JIOYJYYMRAUMTJ-AJQWHOAISA-N. The full InChI is InChI=1S/C22H16FN3O3S.C21H14FN3O4.C20H16FN3O3.C18H14FN3O3/c23-16-11-18-15(10-19(16)24-22(27)9-14-2-1-7-30-14)17(25-26-18)5-3-13-4-6-20-21(8-13)29-12-28-20;22-14-10-16-13(9-17(14)23-21(26)19-2-1-7-27-19)15(24-25-16)5-3-12-4-6-18-20(8-12)29-11-28-18;21-14-9-16-13(8-17(14)22-20(25)12-3-4-12)15(23-24-16)5-1-11-2-6-18-19(7-11)27-10-26-18;1-10(23)20-16-7-12-14(21-22-15(12)8-13(16)19)4-2-11-3-5-17-18(6-11)25-9-24-17/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26);1-10H,11H2,(H,23,26)(H,24,25);1-2,5-9,12H,3-4,10H2,(H,22,25)(H,23,24);2-8H,9H2,1H3,(H,20,23)(H,21,22)/b2*5-3+;5-1+;4-2+.

What are the key properties of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1517.50 g/mol, XLogP of 16.80, 16 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 158927133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).