N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile

C93H70F10I2N18O6S — CID 159661451

IUPACN-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile
SMILESCOCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(I)c2c1F.O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C22H22F2N4O3.C21H15F2N3OS.C17H12F2N2O2.C16H13F2N3.C9H5FIN3.C8H3FIN3/c1-13(21(29)25-10-11-31-2)26-22(30)16-7-9-18-19(20(16)24)17(27-28-18)8-6-14-4-3-5-15(23)12-14;22-14-4-1-3-13(11-14)6-7-16-20-17(26-25-16)8-9-18(21(20)23)24-19(27)12-15-5-2-10-28-15;1-21-14-8-6-12(17(22)23)16(19)15(14)13(20-21)7-5-10-3-2-4-11(18)9-10;1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10;1-14-6-3-2-5(4-12)8(10)7(6)9(11)13-14;9-7-4(3-11)1-2-5-6(7)8(10)13-12-5/h3-9,12-13H,10-11H2,1-2H3,(H,25,29)(H,26,30)(H,27,28);1-11H,12H2,(H,24,27)(H,25,26);2-9H,1H3,(H,22,23);2-9H,19H2,1H3;2-3H,1H3;1-2H,(H,12,13)/b8-6+;7-6+;2*7-5+;;/t13-;;;;;/m0...../s1
InChIKeyMSVZPUYADWTXCN-FLBVCKDJSA-N
MW2011.56 g/mol
LogP19.84
Rot. Bonds18

About N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile

N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile (PubChem CID 159661451) has the molecular formula C93H70F10I2N18O6S and a molecular weight of 2011.56 g/mol. Its IUPAC name is N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile.

Molecular Properties

Compound NameN-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile
PubChem CID159661451
Molecular FormulaC93H70F10I2N18O6S
Molecular Weight2011.56 g/mol
Exact Mass2010.34
IUPAC NameN-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile
SMILESCOCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(I)c2c1F.O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C22H22F2N4O3.C21H15F2N3OS.C17H12F2N2O2.C16H13F2N3.C9H5FIN3.C8H3FIN3/c1-13(21(29)25-10-11-31-2)26-22(30)16-7-9-18-19(20(16)24)17(27-28-18)8-6-14-4-3-5-15(23)12-14;22-14-4-1-3-13(11-14)6-7-16-20-17(26-25-16)8-9-18(21(20)23)24-19(27)12-15-5-2-10-28-15;1-21-14-8-6-12(17(22)23)16(19)15(14)13(20-21)7-5-10-3-2-4-11(18)9-10;1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10;1-14-6-3-2-5(4-12)8(10)7(6)9(11)13-14;9-7-4(3-11)1-2-5-6(7)8(10)13-12-5/h3-9,12-13H,10-11H2,1-2H3,(H,25,29)(H,26,30)(H,27,28);1-11H,12H2,(H,24,27)(H,25,26);2-9H,1H3,(H,22,23);2-9H,19H2,1H3;2-3H,1H3;1-2H,(H,12,13)/b8-6+;7-6+;2*7-5+;;/t13-;;;;;/m0...../s1
InChIKeyMSVZPUYADWTXCN-FLBVCKDJSA-N
XLogP19.84
TPSA346.93 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002011.56
LogP ≤ 519.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile?
The IUPAC name of N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile (CID 159661451) is N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile.
What is the SMILES notation for N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile?
The canonical SMILES for N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile is COCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21.Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(I)c2c1F.O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.
What is the InChIKey of N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile?
The InChIKey is MSVZPUYADWTXCN-FLBVCKDJSA-N. The full InChI is InChI=1S/C22H22F2N4O3.C21H15F2N3OS.C17H12F2N2O2.C16H13F2N3.C9H5FIN3.C8H3FIN3/c1-13(21(29)25-10-11-31-2)26-22(30)16-7-9-18-19(20(16)24)17(27-28-18)8-6-14-4-3-5-15(23)12-14;22-14-4-1-3-13(11-14)6-7-16-20-17(26-25-16)8-9-18(21(20)23)24-19(27)12-15-5-2-10-28-15;1-21-14-8-6-12(17(22)23)16(19)15(14)13(20-21)7-5-10-3-2-4-11(18)9-10;1-21-14-8-6-12(19)16(18)15(14)13(20-21)7-5-10-3-2-4-11(17)9-10;1-14-6-3-2-5(4-12)8(10)7(6)9(11)13-14;9-7-4(3-11)1-2-5-6(7)8(10)13-12-5/h3-9,12-13H,10-11H2,1-2H3,(H,25,29)(H,26,30)(H,27,28);1-11H,12H2,(H,24,27)(H,25,26);2-9H,1H3,(H,22,23);2-9H,19H2,1H3;2-3H,1H3;1-2H,(H,12,13)/b8-6+;7-6+;2*7-5+;;/t13-;;;;;/m0...../s1.
What are the key properties of N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile?
N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile has a molecular weight of 2011.56 g/mol, XLogP of 19.84, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile is sourced from PubChem (CID 159661451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).