N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

C88H65F6I2N19O16S — CID 157178267

IUPACN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCC(=O)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(I)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2c(I)[nH]nc2cc1F
InChIInChI=1S/C21H17FN4O3S.C18H14FN3O3.C17H12FN3O4.C17H14FN3O2.C8H5FIN3O2.C7H3FIN3O2/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22;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;1-20-14-8-12(18)15(21(22)23)7-11(14)13(19-20)4-2-10-3-5-16-17(6-10)25-9-24-16;1-21-15-8-12(18)13(19)7-11(15)14(20-21)4-2-10-3-5-16-17(6-10)23-9-22-16;1-12-6-3-5(9)7(13(14)15)2-4(6)8(10)11-12;8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h3-11H,1-2H3,(H,23,27)(H,24,25);2-8H,9H2,1H3,(H,20,23)(H,21,22);2-8H,9H2,1H3;2-8H,9,19H2,1H3;2-3H,1H3;1-2H,(H,10,11)/b6-5+;3*4-2+;;
InChIKeyAOGSYVOKQUTSGL-JQVRNRIQSA-N
MW2044.47 g/mol
LogP19.19
Rot. Bonds15

About N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (PubChem CID 157178267) has the molecular formula C88H65F6I2N19O16S and a molecular weight of 2044.47 g/mol. Its IUPAC name is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
PubChem CID157178267
Molecular FormulaC88H65F6I2N19O16S
Molecular Weight2044.47 g/mol
Exact Mass2043.26
IUPAC NameN-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCC(=O)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(I)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2c(I)[nH]nc2cc1F
InChIInChI=1S/C21H17FN4O3S.C18H14FN3O3.C17H12FN3O4.C17H14FN3O2.C8H5FIN3O2.C7H3FIN3O2/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22;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;1-20-14-8-12(18)15(21(22)23)7-11(14)13(19-20)4-2-10-3-5-16-17(6-10)25-9-24-16;1-21-15-8-12(18)13(19)7-11(15)14(20-21)4-2-10-3-5-16-17(6-10)23-9-22-16;1-12-6-3-5(9)7(13(14)15)2-4(6)8(10)11-12;8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h3-11H,1-2H3,(H,23,27)(H,24,25);2-8H,9H2,1H3,(H,20,23)(H,21,22);2-8H,9H2,1H3;2-8H,9,19H2,1H3;2-3H,1H3;1-2H,(H,10,11)/b6-5+;3*4-2+;;
InChIKeyAOGSYVOKQUTSGL-JQVRNRIQSA-N
XLogP19.19
TPSA441.97 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.47
LogP ≤ 519.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide with MolForge

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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;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The IUPAC name of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (CID 157178267) is N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.
What is the SMILES notation for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The canonical SMILES for N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is CC(=O)Nc1cc2c(/C=C/c3ccc4c(c3)OCO4)n[nH]c2cc1F.CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc3c(c2)OCO3)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(I)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2c(I)[nH]nc2cc1F.
What is the InChIKey of N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The InChIKey is AOGSYVOKQUTSGL-JQVRNRIQSA-N. The full InChI is InChI=1S/C21H17FN4O3S.C18H14FN3O3.C17H12FN3O4.C17H14FN3O2.C8H5FIN3O2.C7H3FIN3O2/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22;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;1-20-14-8-12(18)15(21(22)23)7-11(14)13(19-20)4-2-10-3-5-16-17(6-10)25-9-24-16;1-21-15-8-12(18)13(19)7-11(15)14(20-21)4-2-10-3-5-16-17(6-10)23-9-22-16;1-12-6-3-5(9)7(13(14)15)2-4(6)8(10)11-12;8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h3-11H,1-2H3,(H,23,27)(H,24,25);2-8H,9H2,1H3,(H,20,23)(H,21,22);2-8H,9H2,1H3;2-8H,9,19H2,1H3;2-3H,1H3;1-2H,(H,10,11)/b6-5+;3*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;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
N-[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1H-indazol-5-yl]acetamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide has a molecular weight of 2044.47 g/mol, XLogP of 19.19, 15 rotatable bonds, 6 hydrogen bond donors, and 27 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;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-iodo-1-methyl-5-nitroindazole;6-fluoro-3-iodo-5-nitro-2H-indazole;5-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is sourced from PubChem (CID 157178267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).