N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

C90H71F7N14O9S — CID 158737058

IUPACN-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESC=Cc1nn(C)c2cc(F)c(C(=O)OC)cc12.COC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.COC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.COc1ccccc1C(=O)NCc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C24H19F2N3O2.C20H15FN4OS.C17H12F2N2O2.C17H14FN3O2.C12H11FN2O2/c1-31-23-8-3-2-7-18(23)24(30)27-14-16-12-19-21(28-29-22(19)13-20(16)26)10-9-15-5-4-6-17(25)11-15;21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13;1-23-17(22)12-6-8-14-15(16(12)19)13(20-21-14)7-5-10-3-2-4-11(18)9-10;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-4-10-8-5-7(12(16)17-3)9(13)6-11(8)15(2)14-10/h2-13H,14H2,1H3,(H,27,30)(H,28,29);1-8,10-12H,9H2,(H,23,26)(H,24,25);2-9H,1H3,(H,20,21);3-10H,1-2H3;4-6H,1H2,2-3H3/b10-9+;6-5+;7-5+;6-5+;
InChIKeyILUUEJHFDMXUMB-VKZLTPMGSA-N
MW1657.70 g/mol
LogP18.46
Rot. Bonds19

About N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (PubChem CID 158737058) has the molecular formula C90H71F7N14O9S and a molecular weight of 1657.70 g/mol. Its IUPAC name is N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.

Molecular Properties

Compound NameN-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
PubChem CID158737058
Molecular FormulaC90H71F7N14O9S
Molecular Weight1657.70 g/mol
Exact Mass1656.51
IUPAC NameN-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESC=Cc1nn(C)c2cc(F)c(C(=O)OC)cc12.COC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.COC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.COc1ccccc1C(=O)NCc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C24H19F2N3O2.C20H15FN4OS.C17H12F2N2O2.C17H14FN3O2.C12H11FN2O2/c1-31-23-8-3-2-7-18(23)24(30)27-14-16-12-19-21(28-29-22(19)13-20(16)26)10-9-15-5-4-6-17(25)11-15;21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13;1-23-17(22)12-6-8-14-15(16(12)19)13(20-21-14)7-5-10-3-2-4-11(18)9-10;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-4-10-8-5-7(12(16)17-3)9(13)6-11(8)15(2)14-10/h2-13H,14H2,1H3,(H,27,30)(H,28,29);1-8,10-12H,9H2,(H,23,26)(H,24,25);2-9H,1H3,(H,20,21);3-10H,1-2H3;4-6H,1H2,2-3H3/b10-9+;6-5+;7-5+;6-5+;
InChIKeyILUUEJHFDMXUMB-VKZLTPMGSA-N
XLogP18.46
TPSA293.79 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.70
LogP ≤ 518.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The IUPAC name of N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (CID 158737058) is N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.
What is the SMILES notation for N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The canonical SMILES for N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is C=Cc1nn(C)c2cc(F)c(C(=O)OC)cc12.COC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.COC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.COc1ccccc1C(=O)NCc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F.
What is the InChIKey of N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The InChIKey is ILUUEJHFDMXUMB-VKZLTPMGSA-N. The full InChI is InChI=1S/C24H19F2N3O2.C20H15FN4OS.C17H12F2N2O2.C17H14FN3O2.C12H11FN2O2/c1-31-23-8-3-2-7-18(23)24(30)27-14-16-12-19-21(28-29-22(19)13-20(16)26)10-9-15-5-4-6-17(25)11-15;21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13;1-23-17(22)12-6-8-14-15(16(12)19)13(20-21-14)7-5-10-3-2-4-11(18)9-10;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-4-10-8-5-7(12(16)17-3)9(13)6-11(8)15(2)14-10/h2-13H,14H2,1H3,(H,27,30)(H,28,29);1-8,10-12H,9H2,(H,23,26)(H,24,25);2-9H,1H3,(H,20,21);3-10H,1-2H3;4-6H,1H2,2-3H3/b10-9+;6-5+;7-5+;6-5+;.
What are the key properties of N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate has a molecular weight of 1657.70 g/mol, XLogP of 18.46, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;methyl 3-ethenyl-6-fluoro-1-methylindazole-5-carboxylate;methyl 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylate;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is sourced from PubChem (CID 158737058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).