2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide

C94H74F10N18O8 — CID 159110449

IUPAC2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide
SMILESCC(=O)NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN(C)CC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.COCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.N#CCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C20H13F2N3O2.C19H16F2N4O2.C19H18F2N4O.C18H12F2N4O.C18H15F2N3O2/c21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;1-11(26)22-10-19(27)23-18-8-14-16(24-25-17(14)9-15(18)21)7-4-12-2-5-13(20)6-3-12;1-25(2)11-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;19-12-4-1-11(2-5-12)3-6-15-13-9-17(22-18(25)7-8-21)14(20)10-16(13)24-23-15;1-25-10-18(24)21-17-8-13-15(22-23-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11/h1-11H,(H,23,26)(H,24,25);2-9H,10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-10H,11H2,1-2H3,(H,22,26)(H,23,24);1-6,9-10H,7H2,(H,22,25)(H,23,24);2-9H,10H2,1H3,(H,21,24)(H,22,23)/b8-5+;7-4+;8-5+;6-3+;7-4+
InChIKeyKEKONEZPXAZDBO-FPCKRWEVSA-N
MW1773.72 g/mol
LogP18.91
Rot. Bonds23

About 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide

2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide (PubChem CID 159110449) has the molecular formula C94H74F10N18O8 and a molecular weight of 1773.72 g/mol. Its IUPAC name is 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound Name2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide
PubChem CID159110449
Molecular FormulaC94H74F10N18O8
Molecular Weight1773.72 g/mol
Exact Mass1772.58
IUPAC Name2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide
SMILESCC(=O)NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN(C)CC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.COCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.N#CCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C20H13F2N3O2.C19H16F2N4O2.C19H18F2N4O.C18H12F2N4O.C18H15F2N3O2/c21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;1-11(26)22-10-19(27)23-18-8-14-16(24-25-17(14)9-15(18)21)7-4-12-2-5-13(20)6-3-12;1-25(2)11-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;19-12-4-1-11(2-5-12)3-6-15-13-9-17(22-18(25)7-8-21)14(20)10-16(13)24-23-15;1-25-10-18(24)21-17-8-13-15(22-23-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11/h1-11H,(H,23,26)(H,24,25);2-9H,10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-10H,11H2,1-2H3,(H,22,26)(H,23,24);1-6,9-10H,7H2,(H,22,25)(H,23,24);2-9H,10H2,1H3,(H,21,24)(H,22,23)/b8-5+;7-4+;8-5+;6-3+;7-4+
InChIKeyKEKONEZPXAZDBO-FPCKRWEVSA-N
XLogP18.91
TPSA367.40 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.72
LogP ≤ 518.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide?
The IUPAC name of 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide (CID 159110449) is 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide is CC(=O)NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CN(C)CC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.COCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.N#CCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccco1.
What is the InChIKey of 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide?
The InChIKey is KEKONEZPXAZDBO-FPCKRWEVSA-N. The full InChI is InChI=1S/C20H13F2N3O2.C19H16F2N4O2.C19H18F2N4O.C18H12F2N4O.C18H15F2N3O2/c21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;1-11(26)22-10-19(27)23-18-8-14-16(24-25-17(14)9-15(18)21)7-4-12-2-5-13(20)6-3-12;1-25(2)11-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)8-5-12-3-6-13(20)7-4-12;19-12-4-1-11(2-5-12)3-6-15-13-9-17(22-18(25)7-8-21)14(20)10-16(13)24-23-15;1-25-10-18(24)21-17-8-13-15(22-23-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11/h1-11H,(H,23,26)(H,24,25);2-9H,10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-10H,11H2,1-2H3,(H,22,26)(H,23,24);1-6,9-10H,7H2,(H,22,25)(H,23,24);2-9H,10H2,1H3,(H,21,24)(H,22,23)/b8-5+;7-4+;8-5+;6-3+;7-4+.
What are the key properties of 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide?
2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide has a molecular weight of 1773.72 g/mol, XLogP of 18.91, 23 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-cyano-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 159110449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).