N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile

C66H39F6I2N15OS3 — CID 161236265

IUPACN-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile
SMILESCn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(/C=C/c3cccs3)c2c1F.N#Cc1ccc2n[nH]c(/C=C\c3cccs3)c2c1F.N#Cc1ccc2n[nH]c(I)c2c1F.O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3OS.2C14H8FN3S.C9H5FIN3.C8H3FIN3/c22-14-4-1-3-13(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;2*15-14-9(8-16)3-5-11-13(14)12(18-17-11)6-4-10-2-1-7-19-10;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/h1-11H,12H2,(H,24,27)(H,25,26);2*1-7H,(H,17,18);2-3H,1H3;1-2H,(H,12,13)/b7-6+;6-4+;6-4-;;
InChIKeyUZKHOVIUELTNRZ-VHFYBALQSA-N
MW1522.14 g/mol
LogP17.23
Rot. Bonds9

About N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile

N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile (PubChem CID 161236265) has the molecular formula C66H39F6I2N15OS3 and a molecular weight of 1522.14 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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile
PubChem CID161236265
Molecular FormulaC66H39F6I2N15OS3
Molecular Weight1522.14 g/mol
Exact Mass1521.06
IUPAC NameN-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile
SMILESCn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(/C=C/c3cccs3)c2c1F.N#Cc1ccc2n[nH]c(/C=C\c3cccs3)c2c1F.N#Cc1ccc2n[nH]c(I)c2c1F.O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3OS.2C14H8FN3S.C9H5FIN3.C8H3FIN3/c22-14-4-1-3-13(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;2*15-14-9(8-16)3-5-11-13(14)12(18-17-11)6-4-10-2-1-7-19-10;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/h1-11H,12H2,(H,24,27)(H,25,26);2*1-7H,(H,17,18);2-3H,1H3;1-2H,(H,12,13)/b7-6+;6-4+;6-4-;;
InChIKeyUZKHOVIUELTNRZ-VHFYBALQSA-N
XLogP17.23
TPSA256.80 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.14
LogP ≤ 517.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile with MolForge

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Related Compounds

N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157435845
1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157946288
1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide
CID 159538118
N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160064230
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole
CID 162083538
6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 162172659

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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile (CID 161236265) is N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile is Cn1nc(I)c2c(F)c(C#N)ccc21.N#Cc1ccc2n[nH]c(/C=C/c3cccs3)c2c1F.N#Cc1ccc2n[nH]c(/C=C\c3cccs3)c2c1F.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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile?
The InChIKey is UZKHOVIUELTNRZ-VHFYBALQSA-N. The full InChI is InChI=1S/C21H15F2N3OS.2C14H8FN3S.C9H5FIN3.C8H3FIN3/c22-14-4-1-3-13(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;2*15-14-9(8-16)3-5-11-13(14)12(18-17-11)6-4-10-2-1-7-19-10;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/h1-11H,12H2,(H,24,27)(H,25,26);2*1-7H,(H,17,18);2-3H,1H3;1-2H,(H,12,13)/b7-6+;6-4+;6-4-;;.
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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile?
N-[4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;4-fluoro-3-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile has a molecular weight of 1522.14 g/mol, XLogP of 17.23, 9 rotatable bonds, 5 hydrogen bond donors, and 14 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-iodo-2H-indazole-5-carbonitrile;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile is sourced from PubChem (CID 161236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).